L-689502
HIT212671999
sdf文件结构编辑类似物检索
HIT ID: HIT212671999
Cas No: 138483-63-3
分子式: C39H51N3O7
分子量: 673.851
常用名: L-689502
氢键受体数 (HBA): 7
氢键供体数 (HBD): 4
LogP: 4.687221
IUPAC: tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-1-phenylpentan-2-yl]carbamate
IUPAC: tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-1-phenylpentan-2-yl]carbamate
SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
InChI key: IYLCQJSWFWQHCD-AIIVFDHXSA-N
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