Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L7KQD8
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| Ligand Name |
methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate
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| Synonyms |
CHEMBL4640111; methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate; SCHEMBL10291249; SCHEMBL16408854; BDBM50539654; QLM
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| Structure |
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Download2D MOL |
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| Formula |
C29H30ClN9O5
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| Canonical SMILES |
COC(=O)C1CCCCC(C2=NC=C(N2)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/C29H30ClN9O5/c1-43-28(41)22-6-4-3-5-21(35-26(40)12-7-17-13-18(30)8-11-25(17)39-16-32-37-38-39)27-31-15-24(36-27)20-10-9-19(14-23(20)34-22)33-29(42)44-2/h7-16,21-22,34H,3-6H2,1-2H3,(H,31,36)(H,33,42)(H,35,40)/b12-7+/t21-,22+/m0/s1
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| InChIKey |
IMAMZDHZESKXTJ-VFPWRSFOSA-N
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| PubChem Compound ID | ||||
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