Chem
J-GLOBAL ID：200907061777931686   Nikkaji number：J611.578K

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

N,N′-[ウレイレンビス[(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： C31H42N4O7
Molecular formula furigana： C31-H42-N4-O7
Molecular weight： 582.698
InChI： InChI=1S/C31H42N4O7/c1-19(2)25(29(38)41-5)34-27(36)23(17-21-13-9-7-10-14-21)32-31(40)33-24(18-22-15-11-8-12-16-22)28(37)35-26(20(3)4)30(39)42-6/h7-16,19-20,23-26H,17-18H2,1-6H3,(H,34,36)(H,35,37)(H2,32,33,40)/t23-,24-,25-,26-/m0/s1
InChI key： SVONIGNIRQRPAE-CQJMVLFOSA-N
SMILES： COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C
Systematic name  (3)：
  • N,N′-[ウレイレンビス[(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}アミノ)-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}amino)-3-phenylpropanamido]-3-methylbutanoate
Other name (1)：
  • N,N′-[Ureylenebis[(S)-1-oxo-2-benzyl-2,1-ethanediyl]]bis(L-valine methyl) ester
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