Chem
J-GLOBAL ID:200907001030422321   Nikkaji number:J1.168.756C

N-[(Z)-2-Benzyl-5-amino-5-methyl-2-hexenoyl]-N-methyl-3-(2-naphthyl)-L-Ala-N-methyl-D-Phe-NHMe

N-[(Z)-2-ベンジル-5-アミノ-5-メチル-2-ヘキセノイル]-N-メチル-3-(2-ナフチル)-L-Ala-N-メチル-D-Phe-NHMe
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: C39H46N4O3
Molecular formula furigana: C39-H46-N4-O3
Molecular weight: 618.822
InChI: InChI=1S/C39H46N4O3/c1-39(2,40)23-22-33(24-28-14-8-6-9-15-28)37(45)43(5)35(27-30-20-21-31-18-12-13-19-32(31)25-30)38(46)42(4)34(36(44)41-3)26-29-16-10-7-11-17-29/h6-22,25,34-35H,23-24,26-27,40H2,1-5H3,(H,41,44)/b33-22-/t34-,35+/m1/s1
InChI key: RLJSDDUOEKYCMK-NZTUMACCSA-N
SMILES: CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C(=C\CC(C)(C)N)/Cc1ccccc1
Systematic name  (3):
  • N-[(Z)-2-ベンジル-5-アミノ-5-メチル-2-ヘキセノイル]-N-メチル-3-(2-ナフチル)-L-Ala-N-メチル-D-Phe-NHMe
  • (2Z)-5-アミノ-2-ベンジル-N,5-ジメチル-N-[(1S)-1-{メチル[(1R)-1-(メチルカルバモイル)-2-フェニルエチル]カルバモイル}-2-(ナフタレン-2-イル)エチル]ヘキサ-2-エンアミド
  • (2Z)-5-amino-2-benzyl-N,5-dimethyl-N-[(1S)-1-{methyl[(1R)-1-(methylcarbamoyl)-2-phenylethyl]carbamoyl}-2-(naphthalen-2-yl)ethyl]hex-2-enamide
Other name (1):
  • N-[(Z)-2-Benzyl-5-amino-5-methyl-2-hexenoyl]-N-methyl-3-(2-naphthyl)-L-Ala-N-methyl-D-Phe-NHMe
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