Chem
J-GLOBAL ID:200907072781198790   Nikkaji number:J1.430.785K

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

4-メチル-7-(Ac-L-Phe-L-Pro-L-Ala-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: C29H32N4O6
Molecular formula furigana: C29-H32-N4-O6
Molecular weight: 532.597
InChI: InChI=1S/C29H32N4O6/c1-17-14-26(35)39-25-16-21(11-12-22(17)25)32-27(36)18(2)30-28(37)24-10-7-13-33(24)29(38)23(31-19(3)34)15-20-8-5-4-6-9-20/h4-6,8-9,11-12,14,16,18,23-24H,7,10,13,15H2,1-3H3,(H,30,37)(H,31,34)(H,32,36)/t18-,23-,24-/m0/s1
InChI key: GLHHDLHWUAMHRM-NWVWQQAFSA-N
SMILES: 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-Ala-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}-N-(4-メチル-2-オキソ-2H-クロメン-7-イル)プロパンアミド
  • (2S)-2-{[(2S)-1-[(2S)-2-acetamido-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-N-(4-methyl-2-oxo-2H-chromen-7-yl)propanamide
Other name (1):
  • 4-Methyl-7-(Ac-L-Phe-L-Pro-L-Ala-amino)-2H-1-benzopyran-2-one
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