Chem
J-GLOBAL ID：200907041873327594   Nikkaji number：J357.360E

[(3S,4S)-4-[(Isovaleryl-L-Val-L-Val-)amino]-3-hydroxy-6-methylheptanoyl]-L-Phe-OMe

[(3S,4S)-4-[(イソバレリル-L-Val-L-Val-)アミノ]-3-ヒドロキシ-6-メチルヘプタノイル]-L-Phe-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： C33H54N4O7
Molecular formula furigana： C33-H54-N4-O7
Molecular weight： 618.816
InChI： InChI=1S/C33H54N4O7/c1-19(2)15-24(26(38)18-28(40)34-25(33(43)44-9)17-23-13-11-10-12-14-23)35-31(41)30(22(7)8)37-32(42)29(21(5)6)36-27(39)16-20(3)4/h10-14,19-22,24-26,29-30,38H,15-18H2,1-9H3,(H,34,40)(H,35,41)(H,36,39)(H,37,42)/t24-,25-,26-,29-,30-/m0/s1
InChI key： HRYAUFQZYPUPRQ-IJUWOWPVSA-N
SMILES： COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C
Systematic name  (3)：
  • [(3S,4S)-4-[(イソバレリル-L-Val-L-Val-)アミノ]-3-ヒドロキシ-6-メチルヘプタノイル]-L-Phe-OMe
  • メチル (2S)-2-[(3S,4S)-3-ヒドロキシ-6-メチル-4-[(2S)-3-メチル-2-[(2S)-3-メチル-2-(3-メチルブタンアミド)ブタンアミド]ブタンアミド]ヘプタンアミド]-3-フェニルプロパノアート
  • methyl (2S)-2-[(3S,4S)-3-hydroxy-6-methyl-4-[(2S)-3-methyl-2-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]butanamido]heptanamido]-3-phenylpropanoate
Other name (1)：
  • [(3S,4S)-4-[(Isovaleryl-L-Val-L-Val-)amino]-3-hydroxy-6-methylheptanoyl]-L-Phe-OMe
Thsaurus map：
Thesaurus Map

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