Chem
J-GLOBAL ID：200907095039654980   Nikkaji number：J1.430.776A

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

4-メチル-7-(Ac-L-Phe-L-Orn-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： C32H42N6O6
Molecular formula furigana： C32-H42-N6-O6
Molecular weight： 606.724
InChI： InChI=1S/C32H42N6O6/c1-20-17-29(40)44-28-19-23(13-14-24(20)28)36-30(41)25(11-6-7-15-33)37-31(42)26(12-8-16-34)38-32(43)27(35-21(2)39)18-22-9-4-3-5-10-22/h3-5,9-10,13-14,17,19,25-27H,6-8,11-12,15-16,18,33-34H2,1-2H3,(H,35,39)(H,36,41)(H,37,42)(H,38,43)/t25-,26-,27-/m0/s1
InChI key： SYWUXUCYFZCDAG-QKDODKLFSA-N
SMILES： CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)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-Orn-L-Lys-アミノ)-2H-1-ベンゾピラン-2-オン
  • (2S)-6-アミノ-2-[(2S)-5-アミノ-2-[(2S)-2-アセトアミド-3-フェニルプロパンアミド]ペンタンアミド]-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)-5-amino-2-[(2S)-2-acetamido-3-phenylpropanamido]pentanamido]-N-(4-methyl-2-oxo-2H-chromen-7-yl)hexanamide
Other name (1)：
  • 4-Methyl-7-(Ac-L-Phe-L-Orn-L-Lys-amino)-2H-1-benzopyran-2-one
Thsaurus map：
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