Name: Verlamelin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212101262
Cas No:74758-64-8
常用名:Verlamelin
IUPAC:3-[18-(1-hydroxyethyl)-6-[(4-hydroxyphenyl)methyl]-21-methyl-12-nonyl-1,4,7,10,16,19,22-heptaoxo-9-(propan-2-yl)-tetracosahydro-1H-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19-hexaazacyclotetracosan-3-yl]propanamide
IUPAC:3-[18-(1-hydroxyethyl)-6-[(4-hydroxyphenyl)methyl]-21-methyl-12-nonyl-1,4,7,10,16,19,22-heptaoxo-9-(propan-2-yl)-tetracosahydro-1H-pyrrolo[2,1-l]1-oxa-4,7,10,13,16,19-hexaazacyclotetracosan-3-yl]propanamide
InChI key:SORSHHMYDAJYHQ-UHFFFAOYSA-N

分子式:C45H71N7O11
分子量:886.101
氢键供体数 (HBD):8
氢键受体数 (HBA):10
LogP:2.1485777
SMILES:CCCCCCCCCC1CCCC(=O)NC(C(C)O)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(CCC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(C(C)C)C(=O)O1
SMILES:CCCCCCCCCC1CCCC(=O)NC(C(C)O)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(CCC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(C(C)C)C(=O)O1

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