Chem
J-GLOBAL ID:200907000728358939   Nikkaji number:J847.148G

(2S,5S)-α-Cyclopropyl-N-(diethoxyphosphinylmethyl)-2-isobutyl-3,6-dioxo-5-benzylpiperazine-1-acetamide

(2S,5S)-α-シクロプロピル-N-(ジエトキシホスフィニルメチル)-2-イソブチル-3,6-ジオキソ-5-ベンジルピペラジン-1-アセトアミド
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: C25H38N3O6P
Molecular formula furigana: C25-H38-N3-O6-P
Molecular weight: 507.568
InChI: InChI=1S/C25H38N3O6P/c1-5-33-35(32,34-6-2)16-26-24(30)22(19-12-13-19)28-21(14-17(3)4)23(29)27-20(25(28)31)15-18-10-8-7-9-11-18/h7-11,17,19-22H,5-6,12-16H2,1-4H3,(H,26,30)(H,27,29)/t20-,21-,22?/m0/s1
InChI key: AXJVRXMUTAKTAO-LGTSYYJHSA-N
SMILES: CCOP(=O)(CNC(=O)C(C1CC1)N1[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C1=O)OCC
Systematic name  (3):
  • (2S,5S)-α-シクロプロピル-N-(ジエトキシホスフィニルメチル)-2-イソブチル-3,6-ジオキソ-5-ベンジルピペラジン-1-アセトアミド
  • ジエチル ({2-[(3S,6S)-3-ベンジル-6-(2-メチルプロピル)-2,5-ジオキソピペラジン-1-イル]-2-シクロプロピルアセトアミド}メチル)ホスホナート
  • diethyl ({2-[(3S,6S)-3-benzyl-6-(2-methylpropyl)-2,5-dioxopiperazin-1-yl]-2-cyclopropylacetamido}methyl)phosphonate
Other name (1):
  • (2S,5S)-α-Cyclopropyl-N-(diethoxyphosphinylmethyl)-2-isobutyl-3,6-dioxo-5-benzylpiperazine-1-acetamide
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