Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9OSW4
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| Ligand Name |
ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate
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| Synonyms |
CHEMBL4645389; ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate; SCHEMBL10291278; SCHEMBL16652885; BDBM50539660; QLJ
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| Structure |
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Download2D MOL |
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| Formula |
C32H33ClN8O5
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| Canonical SMILES |
CCOC(=O)C1CCCCC(C2=NC=CC(=C2)C3=C(N1)C=C(C=C3)NC(=O)OC)NC(=O)C=CC4=C(C=CC(=C4)Cl)N5C=NN=N5
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| InChI |
1S/C32H33ClN8O5/c1-3-46-31(43)26-7-5-4-6-25(38-30(42)13-8-21-16-22(33)9-12-29(21)41-19-35-39-40-41)28-17-20(14-15-34-28)24-11-10-23(18-27(24)37-26)36-32(44)45-2/h8-19,25-26,37H,3-7H2,1-2H3,(H,36,44)(H,38,42)/b13-8+/t25-,26+/m0/s1
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| InChIKey |
SBASSQZHYOTWFU-RXPDHRDVSA-N
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| PubChem Compound ID | ||||
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