Chem
J-GLOBAL ID：200907060929840332   Nikkaji number：J1.430.780J

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

4-メチル-7-(Ac-L-Phe-L-Pro-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： C31H36N4O6
Molecular formula furigana： C31-H36-N4-O6
Molecular weight： 560.651
InChI： InChI=1S/C31H36N4O6/c1-18(2)28(30(39)33-22-12-13-23-19(3)15-27(37)41-26(23)17-22)34-29(38)25-11-8-14-35(25)31(40)24(32-20(4)36)16-21-9-6-5-7-10-21/h5-7,9-10,12-13,15,17-18,24-25,28H,8,11,14,16H2,1-4H3,(H,32,36)(H,33,39)(H,34,38)/t24-,25-,28-/m0/s1
InChI key： CYBSEBPUWGAMDI-VBOOUTDYSA-N
SMILES： CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=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-Pro-L-Val-アミノ)-2H-1-ベンゾピラン-2-オン
  • (2S)-2-{[(2S)-1-[(2S)-2-アセトアミド-3-フェニルプロパノイル]ピロリジン-2-イル]ホルムアミド}-3-メチル-N-(4-メチル-2-オキソ-2H-クロメン-7-イル)ブタンアミド
  • (2S)-2-{[(2S)-1-[(2S)-2-acetamido-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-methyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)butanamide
Other name (1)：
  • 4-Methyl-7-(Ac-L-Phe-L-Pro-L-Val-amino)-2H-1-benzopyran-2-one
Thsaurus map：
Thesaurus Map

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