Chem
J-GLOBAL ID：200907077774437005   Nikkaji number：J1.543.461I

Lopinavir

ロピナビル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C37H48N4O5
Molecular formula furigana： C37-H48-N4-O5
Molecular weight： 628.814
InChI： InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1
InChI key： KJHKTHWMRKYKJE-SUGCFTRWSA-N
SMILES： CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1
Systematic name  (4)：
  • (2S)-N-[(1S,3S,4S)-1-ベンジル-3-ヒドロキシ-4-(2,6-ジメチルフェノキシアセチルアミノ)-5-フェニルペンチル]-2-(2-オキソヘキサヒドロピリミジン-1-イル)-3-メチルブタンアミド
  • 1-[(S)-1-[[(S)-α-[(2S,3S)-3-(2,6-ジメチルフェノキシアセチルアミノ)-2-ヒドロキシ-4-フェニルブチル]フェネチル]カルバモイル]-2-メチルプロピル]-3,4,5,6-テトラヒドロピリミジン-2(1H)-オン
  • (2S)-N-[(2S,4S,5S)-5-[2-(2,6-ジメチルフェノキシ)アセトアミド]-4-ヒドロキシ-1,6-ジフェニルヘキサン-2-イル]-3-メチル-2-(2-オキソ-1,3-ジアジナン-1-イル)ブタンアミド
  • (2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
Other name (7)：
  • (2S)-N-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(2,6-dimethylphenoxyacetylamino)-5-phenylpentyl]-2-(2-oxohexahydropyrimidine-1-yl)-3-methylbutanamide
  • ロピナビル
  • Lopinavir
  • ABT-378
  • 1-[(S)-1-[[(S)-α-[(2S,3S)-3-(2,6-Dimethylphenoxyacetylamino)-2-hydroxy-4-phenylbutyl]phenethyl]carbamoyl]-2-methylpropyl]-3,4,5,6-tetrahydropyrimidine-2(1H)-one
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CAS registry number： 192725-17-0
KEGG DRUG： D01425
KEGG COMPOUND： C12871
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