Molecule FYI-1010957

Molecule Summary:

ID: FYI-1010957
Names:
InChIKey: UGYMVVYXANRMNC-QYJGSTTLSA-N
SMILES: C/C=C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)/C(=C/C)NC(=O)CC(O)CCCCC)C(C)C)C(C)C)C(C)C)C(C)C)/C(=O)NC(C(=O)NC(C(=O)NC(CCO)C(=O)NC(CCN)C(=O)NC(CCCCN)C(=O)O)C(C)CC)C(C)O

Received at FYIcenter.com on: 2024-07-18

Molecule ID: FYI-1010957 Edit

Molecule Structure InChIKey: UGYMVVYXANRMNC-QYJGSTTLSA-N

Molecule Structure SMILES String: C/C=C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)/C(=C/C)NC(=O)CC(O)CCCCC)C(C)C)C(C)C)C(C)C)C(C)C)/C(=O)NC(C(=O)NC(C(=O)NC(CCO)C(=O)NC(CCN)C(=O)NC(CCCCN)C(=O)O)C(C)C

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FYI-1010957
FYIcenter.com

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126125  1  0  0  0  0
127126  1  0  0  0  0
128127  1  0  0  0  0
129128  1  0  0  0  0
130126  1  0  0  0  0
131130  2  0  0  0  0
132130  1  0  0  0  0
133132  1  0  0  0  0
134133  1  0  0  0  0
135134  1  0  0  0  0
136135  1  0  0  0  0
137136  1  0  0  0  0
138137  1  0  0  0  0
139133  1  0  0  0  0
140139  1  0  0  0  0
141139  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010957-3D
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306306  0  0  1  0  0  0  0  0999 V2000
   13.3440   -0.6227   -2.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0276   -1.0474   -1.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1010    0.0096   -4.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8835    0.8246   -4.2782 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4988    0.2094   -6.1055 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5694    1.3128   -5.8658 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0517   -0.0478   -4.7931 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4513    2.3378   -5.0126 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.2221    4.7053   -3.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2138    6.0637   -3.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2177    3.8715   -9.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7315    5.2668   -9.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7293   -0.2913  -10.9282 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.6150    0.3670  -11.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0195   -0.2918  -11.1338 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226    1.2004  -13.0465 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6012    0.1899  -14.0487 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3004    0.1538  -15.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0138   -1.0729  -16.1437 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8950   -0.6353  -17.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.4446  -17.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9657    0.7576  -19.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4361   -0.0058  -17.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1220   -2.0388  -15.9616 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2489   -3.1319  -16.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4744   -3.3931  -17.7115 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4178   -4.0573  -16.4778 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.3285   -5.1398  -18.6930 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7313   -3.4099  -16.6166 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0774   -2.6342  -17.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2198   -2.0561  -18.3872 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5803   -2.2863  -17.8792 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.2815    2.0096  -12.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    1.0843  -15.7763 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2820    0.1412  -16.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0816   -0.7134  -16.9202 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6841    0.2876  -15.4178 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.3484   -1.1055  -15.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4173    1.2976  -16.1877 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5108    2.0043  -15.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9870    1.8388  -14.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0613    3.0313  -16.7840 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.3012    2.9743  -18.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2059    3.6172  -19.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5177    2.7701  -16.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2933    2.4611  -15.1529 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9577    2.8444  -16.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9260    2.1310  -16.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2785    1.8356  -16.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2525    3.5802  -18.0022 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4603    4.9480  -17.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.2981    4.7437  -20.4277 C   0  0  3  0  0  0  0  0  0  0  0  0
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   24.4657    6.6690  -21.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2466   -0.4159  -11.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1090   -1.2382  -10.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-08-06, 1042👍, 0💬