Name: PDS-MMAE
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218832718
Cas No:
常用名:PDS-MMAE
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
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
InChI key:OIAAMCWDLWIBBL-UHFFFAOYSA-N

分子式:C47H74N6O9S2
分子量:931.26
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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
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

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