Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LL13YN
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| Ligand Name |
3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
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| Synonyms |
3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid; Q27464315; P9C
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| Structure |
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Download2D MOL |
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| Formula |
C30H33NO7
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| Canonical SMILES |
CC12CC34CC1CC(C3C(C(=O)CC4C5=CC=CC=C5)(C)CCC(=O)NC6=C(C=CC(=C6O)C(=O)O)O)O2
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| InChI |
1S/C30H33NO7/c1-28(11-10-23(34)31-24-20(32)9-8-18(25(24)35)27(36)37)22(33)13-19(16-6-4-3-5-7-16)30-14-17-12-21(26(28)30)38-29(17,2)15-30/h3-9,17,19,21,26,32,35H,10-15H2,1-2H3,(H,31,34)(H,36,37)/t17-,19-,21+,26+,28-,29+,30+/m1/s1
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| InChIKey |
WDRJLSQVOAFEDA-ZORPPZNDSA-N
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| PubChem Compound ID | ||||
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