KB02-SLF
HIT212667822
sdf文件结构编辑类似物检索
HIT ID: HIT212667822
Cas No: 2384184-40-9
分子式: C50H65ClN4O12
分子量: 949.54
常用名: KB02-SLF
氢键受体数 (HBA): 11
氢键供体数 (HBD): 2
LogP: 6.479159
IUPAC: (1R)-1-[3-(3-{2-[2-(2-{[1-(2-chloroacetyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxy}acetamido)ethoxy]ethoxy}propanamido)phenyl]-3-(3,4-dimethoxyphenyl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
IUPAC: (1R)-1-[3-(3-{2-[2-(2-{[1-(2-chloroacetyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxy}acetamido)ethoxy]ethoxy}propanamido)phenyl]-3-(3,4-dimethoxyphenyl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
SMILES: CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCOCCOCCNC(=O)COc2ccc3N(CCCc3c2)C(=O)CCl)c1
SMILES: CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCOCCOCCNC(=O)COc2ccc3N(CCCc3c2)C(=O)CCl)c1
InChI key: OKJBKEQXKMMRPL-WVILEFPPSA-N
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