Molecule FYI-1010323

A

Molecule Summary:

ID: FYI-1010323
Names:
InChIKey: HYRQCHAOLBRARM-JOVZOZRWSA-N
SMILES: CC[C@H](C)[C@H]4NC(=O)[C@@H](NC(C)=O)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C4=O

Received at FYIcenter.com on: 2024-06-05

Molecule ID: FYI-1010323 Edit

Molecule Structure InChIKey: HYRQCHAOLBRARM-JOVZOZRWSA-N

Molecule Structure SMILES String: CC[C@H](C)[C@H]4NC(=O)[C@@H](NC(C)=O)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010323
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
   16.1069    9.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8930    8.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6791    9.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6791   10.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4651    8.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5739    9.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4946   10.7406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3798   10.4176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0940   11.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1676   12.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8808   12.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120   10.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6188   10.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2373   11.9187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510    9.9716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   11.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3446   11.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1062    9.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3463    8.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7134    7.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3756    8.1619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5209    6.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7896    4.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4904    3.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4084    2.8742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5475    2.8447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    2.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2458    2.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000    0.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5947    2.6214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7466    3.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5768    4.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9952    5.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3836    5.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9566    7.2887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8275    3.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9048    2.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7314    1.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1554    1.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6882    2.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5397    0.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2019    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5710    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4768    4.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3948    5.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820    4.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2307    7.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434    7.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    6.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1608    6.3046    0.0000 C   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
  3  4  1  1  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  6  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 15  1  6  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  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
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 33  1  0  0  0  0
  5 35  1  1  0  0  0
 32 36  1  1  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 37  1  0  0  0  0
 31 40  1  1  0  0  0
 27 41  1  6  0  0  0
 42 41  1  0  0  0  0
 43 41  1  0  0  0  0
 23 44  1  6  0  0  0
 45 44  1  0  0  0  0
 46 45  2  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 50 45  1  0  0  0  0
 51 22  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-07-11, 629👍, 0💬