Name: SKF-107457
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317920
Cas No:126333-28-6
常用名:SKF-107457
别名:SKF 107457, Ala-Ala-Phepsi(CH(OH)CH2)Gly-Val-Val-OCH3
别名:SKF 107457, Ala-Ala-Phepsi(CH(OH)CH2)Gly-Val-Val-OCH3
IUPAC:methyl (2S)-2-[(2S)-2-[(4S,5S)-5-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-4-hydroxy-6-phenylhexanamido]-3-methylbutanamido]-3-methylbutanoate
IUPAC:methyl (2S)-2-[(2S)-2-[(4S,5S)-5-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-4-hydroxy-6-phenylhexanamido]-3-methylbutanamido]-3-methylbutanoate
InChI key:IUDCAKKZLXFOQA-QJAPXLAMSA-N

分子式:C29H47N5O7
分子量:577.723
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C |@:35|
SMILES:COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C |@:35|

SKF-107457 is an HIV protease type 1 inhibitor. It is a hexapeptide substrate analog with the scissile bond being replaced by a hydroxy ethylene isostere.

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