Molecule FYI-1010417

A

Molecule Summary:

ID: FYI-1010417
Names:
InChIKey: NCCHYDXMXHIKMK-FVOMNUFISA-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](Cc1ccc(OC)cc1)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C4=O

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

Molecule ID: FYI-1010417 Edit

Molecule Structure InChIKey: NCCHYDXMXHIKMK-FVOMNUFISA-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](Cc1ccc(OC)cc1)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010417
FYIcenter.com

 53 56  0  0  1  0  0  0  0  0999 V2000
   16.9575    9.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7437    8.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5298    9.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5298   10.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3159    8.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4248    9.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3454   10.7401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2306   10.4170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9448   11.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0185   12.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7318   12.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8629   10.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4697   10.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   11.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2021    9.9712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5830   11.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2267    8.1615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3720    6.3547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6407    4.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3415    3.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2595    2.8740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3985    2.8445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6972    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0967    2.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2510    0.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4456    2.6213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5974    3.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4276    4.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8460    5.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2343    5.6946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8074    7.2883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6783    3.9165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7554    2.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5821    1.7324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0061    1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5389    2.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3907    0.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    0.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4219    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3280    4.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2459    5.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9333    4.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8513    5.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820    7.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3947    7.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4767    6.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2307    9.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0120    6.3043    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
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 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
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 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
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 31 40  1  1  0  0  0
 27 41  1  6  0  0  0
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 50 45  1  0  0  0  0
 51 48  1  0  0  0  0
 52 51  1  0  0  0  0
 53 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010417-3D
FYIcenter.com

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