Molecule FYI-1014567

A

Molecule Summary:

ID: FYI-1014567
Names:
InChIKey: QZVYYQPOQFPYAT-SQPISVFWSA-N
SMILES: CC(C)C[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3)C(=O)O

Received at FYIcenter.com on: 2025-04-29

Molecule ID: FYI-1014567 Edit

Molecule Structure InChIKey: QZVYYQPOQFPYAT-SQPISVFWSA-N

Molecule Structure SMILES String: CC(C)C[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014567
FYIcenter.com

 53 55  0  0  1  0  0  0  0  0999 V2000
   16.0271    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8808    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693   11.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1597    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0965    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3965    0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6684    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6684    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4559    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2435    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075   13.0378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2435    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4559    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4559    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6684    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6684    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8808    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4559    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0311    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0311    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8186    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770   11.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8186    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1813    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9023    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9656    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6656    0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0349    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112    4.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6516    4.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2797    4.4715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8471    5.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152   13.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4471    5.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145    4.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1471    3.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6701    6.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006    8.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0624    6.7893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8852    7.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923   12.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2776    7.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1005    8.9081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3158    9.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387   10.3334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9236    9.3472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540   10.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618   10.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 23  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  6  0  0  0
 11 23  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  1  0  0  0
 23 52  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 46  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33 28  1  0  0  0  0
 29 34  1  1  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
 38 46  1  0  0  0  0
 39 37  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 41 36  1  0  0  0  0
 37 42  1  1  0  0  0
 43 42  2  0  0  0  0
 44 42  1  0  0  0  0
 45 44  1  6  0  0  0
 46 53  1  0  0  0  0
 47 45  1  0  0  0  0
 48 47  1  0  0  0  0
 49 45  1  0  0  0  0
 50 49  2  0  0  0  0
 51 49  1  0  0  0  0
 52 51  1  6  0  0  0
 53 52  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014567-3D
FYIcenter.com

109111  0  0  1  0  0  0  0  0999 V2000
    1.8305    6.3116   -5.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    5.5458   -5.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3192    6.5332   -5.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2143    4.4599   -4.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1906    3.3169   -4.6480 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1464    2.6708   -5.9775 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2772    2.3653   -6.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3971    2.4084   -6.2010 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708    1.9561   -8.1779 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9651    2.8997   -9.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1649    2.3974  -10.3319 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6473    1.8364   -8.5731 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0464    2.4277   -9.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6700    3.1428  -10.4419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4288    2.0145   -9.9428 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8000    2.5729  -11.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3017    2.4762  -11.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7244    2.6413   -9.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5611    2.4878   -9.1134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5990    2.3726   -7.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5525    2.0274   -7.1462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9394    2.6003   -6.8672 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2610    2.7849   -7.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3080    3.1502   -6.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5154    3.8472   -5.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1001    3.6608   -5.8447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1337    4.0100   -4.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9457    3.7410   -5.0876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6018    4.8152   -3.6723 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1732    6.2801   -3.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964    7.0861   -2.7912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0789    4.1720   -2.4774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6816    3.0733   -1.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6276    2.5051   -2.4817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1219    2.5764   -0.5527 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1529    2.5635    0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4134    1.7486    0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4164    1.8029    1.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5983    1.0590    1.0856 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7126    0.9146    1.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1285    1.6710    2.7691 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4233   -0.1715    1.4691 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983    3.2790   -0.1493 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8822    4.6197    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8926    5.3181    0.1494 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5089    5.1822    0.4543 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4602    6.6703    0.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8879    7.1017    0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3819    6.1523   -0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3224    5.1538   -0.7784 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3115    2.2665   -3.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3567    2.5585   -2.3087 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3322    1.0039   -3.9584 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207    7.0404   -6.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6835    6.8581   -4.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9747    5.6484   -5.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2633    5.0625   -6.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    7.4918   -5.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7512    6.7401   -6.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1222    6.1417   -4.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0749    4.9328   -3.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2256    4.0368   -4.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2011    3.7394   -4.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304    2.6545   -6.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4624    0.9337   -8.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5477    3.9116   -9.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9613    2.9988   -8.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3359    2.6301  -10.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360    1.2868   -7.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4827    0.9169   -9.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3146    2.0444  -12.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5272    3.6343  -11.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6267    1.5040  -11.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7506    3.2511  -12.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4410    1.8482   -9.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1346    3.6418   -9.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0193    1.6545   -6.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5831    1.9013   -8.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2096    3.6583   -8.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8038    2.2561   -6.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0760    3.8081   -7.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7479    3.3777   -4.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7303    4.9176   -5.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6845    4.8088   -3.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0905    6.4074   -3.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4899    6.6834   -4.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4501    6.8007   -1.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2630    4.5702   -2.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8011    1.5437   -0.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6657    2.1502    1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4526    3.5840    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1421    0.7069    0.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9226    2.1362   -0.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6762    2.8452    1.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9796    1.3653    2.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4979    0.4248    0.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4953    2.4672    2.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8713   -0.9927    1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1323   -0.3604    2.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0444    2.7387   -0.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9905    4.6221    1.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1234    6.8859    1.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2115    7.1994    0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783    6.9669    1.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478    8.1529    0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3204    5.6789   -0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598    6.6855   -1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7287    4.2284   -0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2869    1.0066   -4.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 54  1  0  0  0  0
  1 55  1  0  0  0  0
  1 56  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 57  1  0  0  0  0
  3 58  1  0  0  0  0
  3 59  1  0  0  0  0
  3 60  1  0  0  0  0
  4  5  1  0  0  0  0
  4 61  1  0  0  0  0
  4 62  1  0  0  0  0
  5  6  1  0  0  0  0
  5 51  1  0  0  0  0
  5 63  1  1  0  0  0
  6  7  1  0  0  0  0
  6 64  1  0  0  0  0
  7  8  2  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9  7  1  0  0  0  0
  9 65  1  6  0  0  0
 10 11  1  0  0  0  0
 10 66  1  0  0  0  0
 10 67  1  0  0  0  0
 11 68  1  0  0  0  0
 12 13  1  0  0  0  0
 12 69  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 70  1  6  0  0  0
 16 17  1  0  0  0  0
 16 71  1  0  0  0  0
 16 72  1  0  0  0  0
 17 18  1  0  0  0  0
 17 73  1  0  0  0  0
 17 74  1  0  0  0  0
 18 19  1  0  0  0  0
 18 75  1  0  0  0  0
 18 76  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 22 77  1  1  0  0  0
 23 24  1  0  0  0  0
 23 78  1  0  0  0  0
 23 79  1  0  0  0  0
 24 25  1  0  0  0  0
 24 80  1  0  0  0  0
 24 81  1  0  0  0  0
 25 26  1  0  0  0  0
 25 82  1  0  0  0  0
 25 83  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 32  1  0  0  0  0
 29 30  1  0  0  0  0
 29 27  1  0  0  0  0
 29 84  1  1  0  0  0
 30 31  1  0  0  0  0
 30 85  1  0  0  0  0
 30 86  1  0  0  0  0
 31 87  1  0  0  0  0
 32 33  1  0  0  0  0
 32 88  1  0  0  0  0
 33 34  2  0  0  0  0
 35 43  1  0  0  0  0
 35 36  1  0  0  0  0
 35 33  1  0  0  0  0
 35 89  1  6  0  0  0
 36 37  1  0  0  0  0
 36 90  1  0  0  0  0
 36 91  1  0  0  0  0
 37 38  1  0  0  0  0
 37 92  1  0  0  0  0
 37 93  1  0  0  0  0
 38 39  1  0  0  0  0
 38 94  1  0  0  0  0
 38 95  1  0  0  0  0
 39 40  1  0  0  0  0
 39 96  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 41 97  1  0  0  0  0
 42 98  1  0  0  0  0
 42 99  1  0  0  0  0
 43 44  1  0  0  0  0
 43100  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 50  1  0  0  0  0
 46101  1  1  0  0  0
 47 48  1  0  0  0  0
 47102  1  0  0  0  0
 47103  1  0  0  0  0
 48 49  1  0  0  0  0
 48104  1  0  0  0  0
 48105  1  0  0  0  0
 49 50  1  0  0  0  0
 49106  1  0  0  0  0
 49107  1  0  0  0  0
 50108  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53109  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 1116👍, 0💬