Name: Cgp 57813
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212682376
Cas No:150608-41-6
常用名:Cgp 57813
别名:Cgp-57813, Cgp57813
IUPAC:tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-[(4-methoxyphenyl)methyl]-5-{[(1S)-2-methyl-1-{[(2S)-1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl}-1-phenylpentan-2-yl]carbamate
IUPAC:tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-[(4-methoxyphenyl)methyl]-5-{[(1S)-2-methyl-1-{[(2S)-1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl}-1-phenylpentan-2-yl]carbamate
InChI key:DZUIFTBFVIXAMZ-YHKVADFHSA-N

分子式:C43H58N4O8
分子量:758.957
氢键供体数 (HBD):4
氢键受体数 (HBA):7
LogP:5.1692424
SMILES:COc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1
SMILES:COc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1

CGP 57813 is a lipophilic compound, which can be used as an inhibitor of HIV-1 protease.

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