Chem
J-GLOBAL ID：200907072763266460   Nikkaji number：J611.582I

N,N′-[(1,2-Dioxo-1,2-ethanediyl)bisiminobis[(S)-1-oxo-2-benzyl-2,1-ethanediyl]]bis(L-valine methyl) ester

N,N′-[(1,2-ジオキソ-1,2-エタンジイル)ビスイミノビス[(S)-1-オキソ-2-ベンジル-2,1-エタンジイル]]ビス(L-バリンメチル)
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： C32H42N4O8
Molecular formula furigana： C32-H42-N4-O8
Molecular weight： 610.708
InChI： InChI=1S/C32H42N4O8/c1-19(2)25(31(41)43-5)35-27(37)23(17-21-13-9-7-10-14-21)33-29(39)30(40)34-24(18-22-15-11-8-12-16-22)28(38)36-26(20(3)4)32(42)44-6/h7-16,19-20,23-26H,17-18H2,1-6H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t23-,24-,25-,26-/m0/s1
InChI key： KHNMMELKGQHCGG-CQJMVLFOSA-N
SMILES： COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C
Systematic name  (3)：
  • N,N′-[(1,2-ジオキソ-1,2-エタンジイル)ビスイミノビス[(S)-1-オキソ-2-ベンジル-2,1-エタンジイル]]ビス(L-バリンメチル)
  • メチル (2S)-2-[(2S)-2-({[(1S)-1-{[(2S)-1-メトキシ-3-メチル-1-オキソブタン-2-イル]カルバモイル}-2-フェニルエチル]カルバモイル}ホルムアミド)-3-フェニルプロパンアミド]-3-メチルブタノアート
  • methyl (2S)-2-[(2S)-2-({[(1S)-1-{[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}formamido)-3-phenylpropanamido]-3-methylbutanoate
Other name (1)：
  • N,N′-[(1,2-Dioxo-1,2-ethanediyl)bisiminobis[(S)-1-oxo-2-benzyl-2,1-ethanediyl]]bis(L-valine methyl) ester
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