Chem
J-GLOBAL ID：200907085756259275   Nikkaji number：J611.579I

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

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)
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： C29H38N4O7
Molecular formula furigana： C29-H38-N4-O7
Molecular weight： 554.644
InChI： InChI=1S/C29H38N4O7/c1-17(2)23(27(36)37)32-25(34)21(15-19-11-7-5-8-12-19)30-29(40)31-22(16-20-13-9-6-10-14-20)26(35)33-24(18(3)4)28(38)39/h5-14,17-18,21-24H,15-16H2,1-4H3,(H,32,34)(H,33,35)(H,36,37)(H,38,39)(H2,30,31,40)/t21-,22-,23-,24-/m0/s1
InChI key： DSJPDNSCAPHCRT-ZJZGAYNASA-N
SMILES： CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)O)C(=O)O
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)
  • (2S)-2-[(2S)-2-({[(1S)-1-{[(1S)-1-カルボキシ-2-メチルプロピル]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-メチルブタン酸
  • (2S)-2-[(2S)-2-({[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}amino)-3-phenylpropanamido]-3-methylbutanoic acid
Other name (1)：
  • N,N′-[Ureylenebis[(S)-1-oxo-2-benzyl-2,1-ethanediyl]]bis(L-valine)
Thsaurus map：
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