HIT ID: HIT212667169
Cas No: 1613286-58-0
分子式: C27H26ClN3O4
分子量: 491.97
常用名: Duocarmycin MB
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 4.9091635
IUPAC: tert-butyl N-{2-[(1S)-1-(chloromethyl)-5-hydroxy-1H,2H,3H-benzo[e]indole-3-carbonyl]-1H-indol-6-yl}carbamate
IUPAC: tert-butyl N-{2-[(1S)-1-(chloromethyl)-5-hydroxy-1H,2H,3H-benzo[e]indole-3-carbonyl]-1H-indol-6-yl}carbamate
SMILES: CC(C)(C)OC(=O)Nc1ccc2cc([nH]c2c1)C(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21
SMILES: CC(C)(C)OC(=O)Nc1ccc2cc([nH]c2c1)C(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21
InChI key: IVUIPHKZPNUXGG-MRXNPFEDSA-N
