Chem
J-GLOBAL ID:200907094049522970   Nikkaji number:J1.430.778H

4-Methyl-7-(Ac-L-Phe-L-Met-L-Lys-amino)-2H-1-benzopyran-2-one

4-メチル-7-(Ac-L-Phe-L-Met-L-Lys-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: C32H41N5O6S
Molecular formula furigana: C32-H41-N5-O6-S
Molecular weight: 623.770
InChI: InChI=1S/C32H41N5O6S/c1-20-17-29(39)43-28-19-23(12-13-24(20)28)35-30(40)25(11-7-8-15-33)36-31(41)26(14-16-44-3)37-32(42)27(34-21(2)38)18-22-9-5-4-6-10-22/h4-6,9-10,12-13,17,19,25-27H,7-8,11,14-16,18,33H2,1-3H3,(H,34,38)(H,35,40)(H,36,41)(H,37,42)/t25-,26-,27-/m0/s1
InChI key: UKBCYOQHDFFVIO-QKDODKLFSA-N
SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
Systematic name  (3):
  • 4-メチル-7-(Ac-L-Phe-L-Met-L-Lys-アミノ)-2H-1-ベンゾピラン-2-オン
  • (2S)-6-アミノ-2-[(2S)-2-[(2S)-2-アセトアミド-3-フェニルプロパンアミド]-4-(メチルスルファニル)ブタンアミド]-N-(4-メチル-2-オキソ-2H-クロメン-7-イル)ヘキサンアミド
  • (2S)-6-amino-2-[(2S)-2-[(2S)-2-acetamido-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-N-(4-methyl-2-oxo-2H-chromen-7-yl)hexanamide
Other name (1):
  • 4-Methyl-7-(Ac-L-Phe-L-Met-L-Lys-amino)-2H-1-benzopyran-2-one
Thsaurus map:

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