Chem
J-GLOBAL ID:200907026429395932   Nikkaji number:J2.573.352E

(4R)-N-[(S)-1-Phenethyl-2-oxo-3-hydroxypropyl]-1-(benzyloxycarbonyl)-4-[3-(2,5-dioxo-3-pyrroline-1-yl)propionyloxy]prolinamide

(4R)-N-[(S)-1-フェネチル-2-オキソ-3-ヒドロキシプロピル]-1-(ベンジルオキシカルボニル)-4-[3-(2,5-ジオキソ-3-ピロリン-1-イル)プロピオニルオキシ]プロリンアミド
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: C31H33N3O9
Molecular formula furigana: C31-H33-N3-O9
Molecular weight: 591.617
InChI: InChI=1S/C31H33N3O9/c35-19-26(36)24(12-11-21-7-3-1-4-8-21)32-30(40)25-17-23(43-29(39)15-16-33-27(37)13-14-28(33)38)18-34(25)31(41)42-20-22-9-5-2-6-10-22/h1-10,13-14,23-25,35H,11-12,15-20H2,(H,32,40)/t23-,24+,25+/m1/s1
InChI key: ZFTOYVGUKGAYAV-DSITVLBTSA-N
SMILES: OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H](CN1C(=O)OCc1ccccc1)OC(=O)CCN1C(=O)C=CC1=O
Systematic name  (3):
  • (4R)-N-[(S)-1-フェネチル-2-オキソ-3-ヒドロキシプロピル]-1-(ベンジルオキシカルボニル)-4-[3-(2,5-ジオキソ-3-ピロリン-1-イル)プロピオニルオキシ]プロリンアミド
  • ベンジル (2S,4R)-4-{[3-(2,5-ジオキソ-2,5-ジヒドロ-1H-ピロール-1-イル)プロパノイル]オキシ}-2-{[(3S)-1-ヒドロキシ-2-オキソ-5-フェニルペンタン-3-イル]カルバモイル}ピロリジン-1-カルボキシラート
  • benzyl (2S,4R)-4-{[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]oxy}-2-{[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]carbamoyl}pyrrolidine-1-carboxylate
Other name (1):
  • (4R)-N-[(S)-1-Phenethyl-2-oxo-3-hydroxypropyl]-1-(benzyloxycarbonyl)-4-[3-(2,5-dioxo-3-pyrroline-1-yl)propionyloxy]prolinamide
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