Molecule FYI-1014963

A

Molecule Summary:

ID: FYI-1014963
Names:
InChIKey: JHDDJLORUKDDTA-VGWMRTNUSA-N
SMILES: C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

Received at FYIcenter.com on: 2025-06-10

Molecule ID: FYI-1014963 Edit

Molecule Structure InChIKey: JHDDJLORUKDDTA-VGWMRTNUSA-N

Molecule Structure SMILES String: C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014963
FYIcenter.com

 39 40  0  0  1  0  0  0  0  0999 V2000
    0.0000    2.9439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1389    5.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    4.5156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    5.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4409    7.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006    6.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3159    5.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388    4.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8853    7.2198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2547    7.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792    5.9434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4010    8.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1221    9.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1853    8.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2951    6.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6266    7.0067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0041    5.2047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0445    4.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7534    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219    2.4660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7937    1.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1632    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8715    6.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8632    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9264    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6474    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7326    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9097    4.6644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1249    3.6782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6943    4.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8331    6.8214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0867    5.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6561    6.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0484    6.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6179    7.8077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0102    7.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5796    9.2330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  1  0  0  0
  7 25  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 25  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 12 17  1  1  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 32  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
 24 29  1  6  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  6  0  0  0
 33 38  1  0  0  0  0
 34 32  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014963-3D
FYIcenter.com

 78 79  0  0  1  0  0  0  0  0999 V2000
   10.3714   -2.8708   -0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8748   -2.9210   -1.7282 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4876   -1.6056   -2.2123 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4426   -0.7168   -2.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6526   -0.8917   -2.5466 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8666    0.5392   -3.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5641    0.2434   -3.9541 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8161   -4.0256   -1.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1518   -5.0580   -2.5633 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5272   -3.9107   -1.4904 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9528   -2.8840   -0.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2217   -3.6895    0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6491   -4.8680   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6362   -5.0893   -1.5250 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8411   -5.2896   -2.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0303   -6.2053   -2.9698 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0485   -4.3427   -3.8186 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3390   -4.3519   -5.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2815   -4.6709   -6.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2263   -3.9224   -6.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0477   -5.7872   -7.0360 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0915   -6.8441   -6.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8448   -8.1070   -7.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7467   -7.6942   -8.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9417   -6.1727   -8.1372 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6210   -5.4864   -9.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8850   -6.0010  -10.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1174   -4.2106   -9.4155 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7656   -3.4417  -10.6047 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5399   -4.0432  -11.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2902   -4.2624  -10.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6071   -2.9744  -10.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640   -3.2853   -9.1623 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5682   -3.5197   -7.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582   -3.1110   -7.0144 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5544   -4.2845   -7.3907 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5736   -1.9700  -10.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6746   -1.5506   -9.0662 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2339   -1.1532  -11.2370 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107   -3.7901   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5646   -2.7657    0.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0563   -2.0292   -0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7356   -3.2216   -2.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5220   -1.3697   -2.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5718    0.8877   -4.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7510    1.3115   -2.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7026   -0.5276   -4.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    1.0396   -4.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2378   -2.3187   -1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6777   -2.1899   -0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4473   -3.1137    0.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302   -4.0581    1.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6422   -4.6272   -0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5662   -5.7606    0.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292   -5.9958   -1.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8791   -3.7679   -3.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9679   -3.3349   -5.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4646   -5.0021   -5.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2340   -6.6853   -7.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7511   -6.8789   -5.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1730   -8.9326   -7.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4611   -8.4340   -6.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2707   -7.9692   -9.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7048   -8.2229   -8.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9777   -5.9281   -7.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2283   -3.7084   -8.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6315   -3.4721  -11.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8229   -5.0235  -11.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2682   -3.4380  -12.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5352   -4.8957   -9.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5693   -4.8418  -11.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2638   -2.4091  -10.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2844   -2.3228   -9.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8208   -3.9280   -9.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1153   -2.4887   -7.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -3.9666   -7.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5760   -4.3017   -6.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2256   -1.5686  -12.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  1  1  0  0  0  0
  2 43  1  6  0  0  0
  3  4  1  0  0  0  0
  3 44  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 45  1  0  0  0  0
  6 46  1  0  0  0  0
  7 47  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
 12 13  1  0  0  0  0
 12 51  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 13 53  1  0  0  0  0
 13 54  1  0  0  0  0
 14 15  1  0  0  0  0
 14 55  1  1  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 24  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 24 25  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
 25 26  1  0  0  0  0
 25 65  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 66  1  0  0  0  0
 29 30  1  0  0  0  0
 29 37  1  0  0  0  0
 29 67  1  6  0  0  0
 30 31  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
 31 32  1  0  0  0  0
 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
 32 33  1  0  0  0  0
 32 72  1  0  0  0  0
 32 73  1  0  0  0  0
 33 34  1  0  0  0  0
 33 74  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 35 75  1  0  0  0  0
 36 76  1  0  0  0  0
 36 77  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 78  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-18, 887👍, 0💬