Chem
J-GLOBAL ID：200907038283229472   Nikkaji number：J1.430.783D

4-Methyl-7-(Ac-L-Phe-L-Glu-L-Val-amino)-2H-1-benzopyran-2-one

4-メチル-7-(Ac-L-Phe-L-Glu-L-Val-アミノ)-2H-1-ベンゾピラン-2-オン
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： C31H36N4O8
Molecular formula furigana： C31-H36-N4-O8
Molecular weight： 592.649
InChI： InChI=1S/C31H36N4O8/c1-17(2)28(31(42)33-21-10-11-22-18(3)14-27(39)43-25(22)16-21)35-29(40)23(12-13-26(37)38)34-30(41)24(32-19(4)36)15-20-8-6-5-7-9-20/h5-11,14,16-17,23-24,28H,12-13,15H2,1-4H3,(H,32,36)(H,33,42)(H,34,41)(H,35,40)(H,37,38)/t23-,24-,28-/m0/s1
InChI key： ASAKCCIICKPNRZ-QONNDPFASA-N
SMILES： CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
Systematic name  (3)：
  • 4-メチル-7-(Ac-L-Phe-L-Glu-L-Val-アミノ)-2H-1-ベンゾピラン-2-オン
  • (4S)-4-[(2S)-2-アセトアミド-3-フェニルプロパンアミド]-4-{[(1S)-2-メチル-1-[(4-メチル-2-オキソ-2H-クロメン-7-イル)カルバモイル]プロピル]カルバモイル}ブタン酸
  • (4S)-4-[(2S)-2-acetamido-3-phenylpropanamido]-4-{[(1S)-2-methyl-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]propyl]carbamoyl}butanoic acid
Other name (1)：
  • 4-Methyl-7-(Ac-L-Phe-L-Glu-L-Val-amino)-2H-1-benzopyran-2-one
Thsaurus map：
Thesaurus Map

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