HIT ID: HIT218832718

Cas No:

分子式: C47H74N6O9S2

分子量: 931.26

常用名: 2-(pyridin-2-yldisulfanyl)ethyl N-{1-[(1-{[1-(2-{2-[(1-hydroxy-1-phenylpropan-2-yl)carbamoyl]-1-methoxy-2-methylethyl}pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl)carbamoyl]-2-methylpropyl}-N-methylcarbamate, PDS-MMAE

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 2-(pyridin-2-yldisulfanyl)ethyl N-{1-[(1-{[1-(2-{2-[(1-hydroxy-1-phenylpropan-2-yl)carbamoyl]-1-methoxy-2-methylethyl}pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl)carbamoyl]-2-methylpropyl}-N-methylcarbamate

SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OCCSSc1ccccn1)C(C)C

InChI key: OIAAMCWDLWIBBL-UHFFFAOYSA-N