Name: Didemnin C
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317890
Cas No:77327-06-1
常用名:Didemnin C
IUPAC:N-[10-(butan-2-yl)-11-hydroxy-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,8,13,16,18,21-heptaoxo-15-(propan-2-yl)-docosahydro-1H-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-(2-hydroxy-N-methylpropanamido)-4-methylpentanamide
IUPAC:N-[10-(butan-2-yl)-11-hydroxy-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,8,13,16,18,21-heptaoxo-15-(propan-2-yl)-docosahydro-1H-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-(2-hydroxy-N-methylpropanamido)-4-methylpentanamide
InChI key:ZRSXZCRRAOVIJD-UHFFFAOYSA-N

分子式:C52H82N6O14
分子量:1015.256
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C(C)O)C(C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(OC(=O)CC1O)C(C)C
SMILES:CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C(C)O)C(C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(OC(=O)CC1O)C(C)C

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