Name: THP-Mal
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219586542
Cas No:1314929-99-1
常用名:THP-Mal
别名:THP-Mal
IUPAC:N,N'-bis({[3-(benzyloxy)-1,6-dimethyl-4-oxo-1,4-dihydropyridin-2-yl]methyl})-4-[2-({[3-(benzyloxy)-1,6-dimethyl-4-oxo-1,4-dihydropyridin-2-yl]methyl}carbamoyl)ethyl]-4-{3-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]propanamido}heptanediamide
IUPAC:N,N'-bis({[3-(benzyloxy)-1,6-dimethyl-4-oxo-1,4-dihydropyridin-2-yl]methyl})-4-[2-({[3-(benzyloxy)-1,6-dimethyl-4-oxo-1,4-dihydropyridin-2-yl]methyl}carbamoyl)ethyl]-4-{3-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]propanamido}heptanediamide
InChI key:METBHPNAPCROQL-UHFFFAOYSA-N

分子式:C65H75N9O13
分子量:1190.365
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1cc(=O)c(OCc2ccccc2)c(CNC(=O)CCC(CCC(=O)NCc2c(OCc3ccccc3)c(=O)cc(C)n2C)(CCC(=O)NCc2c(OCc3ccccc3)c(=O)cc(C)n2C)NC(=O)CCNC(=O)CCN2C(=O)C=CC2=O)n1C
SMILES:Cc1cc(=O)c(OCc2ccccc2)c(CNC(=O)CCC(CCC(=O)NCc2c(OCc3ccccc3)c(=O)cc(C)n2C)(CCC(=O)NCc2c(OCc3ccccc3)c(=O)cc(C)n2C)NC(=O)CCNC(=O)CCN2C(=O)C=CC2=O)n1C

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