Chem
J-GLOBAL ID：200907061137129310   Nikkaji number：J1.073.500I

N-[4-(1-Pyrenyl)butyryl]-L-Leu-L-Trp-OMe

N-[4-(1-ピレニル)ブチリル]-L-Leu-L-Trp-OMe
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： C38H39N3O4
Molecular formula furigana： C38-H39-N3-O4
Molecular weight： 601.747
InChI： InChI=1S/C38H39N3O4/c1-23(2)20-32(37(43)41-33(38(44)45-3)21-28-22-39-31-12-5-4-11-29(28)31)40-34(42)13-7-8-24-14-15-27-17-16-25-9-6-10-26-18-19-30(24)36(27)35(25)26/h4-6,9-12,14-19,22-23,32-33,39H,7-8,13,20-21H2,1-3H3,(H,40,42)(H,41,43)/t32-,33-/m0/s1
InChI key： ZTSBGQWVMRNQNN-LQJZCPKCSA-N
SMILES： COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34
Systematic name  (3)：
  • N-[4-(1-ピレニル)ブチリル]-L-Leu-L-Trp-OMe
  • メチル (2S)-3-(1H-インドール-3-イル)-2-[(2S)-4-メチル-2-[4-(ピレン-1-イル)ブタンアミド]ペンタンアミド]プロパノアート
  • methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-methyl-2-[4-(pyren-1-yl)butanamido]pentanamido]propanoate
Other name (1)：
  • N-[4-(1-Pyrenyl)butyryl]-L-Leu-L-Trp-OMe
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