Chem
J-GLOBAL ID：200907060866193005   Nikkaji number：J357.358C

[(S)-4-[(Isovaleryl-L-Val-L-Val-)amino]-3-oxo-6-methylheptanoyl]-L-Ala-(3-methylbutyl)-NH2

[(S)-4-[(イソバレリル-L-Val-L-Val-)アミノ]-3-オキソ-6-メチルヘプタノイル]-L-Ala-(3-メチルブチル)-NH2
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： C31H57N5O6
Molecular formula furigana： C31-H57-N5-O6
Molecular weight： 595.826
InChI： InChI=1S/C31H57N5O6/c1-17(2)12-13-32-29(40)22(11)33-26(39)16-24(37)23(14-18(3)4)34-30(41)28(21(9)10)36-31(42)27(20(7)8)35-25(38)15-19(5)6/h17-23,27-28H,12-16H2,1-11H3,(H,32,40)(H,33,39)(H,34,41)(H,35,38)(H,36,42)/t22-,23-,27-,28-/m0/s1
InChI key： COWSGJQEDUJBDF-GOUQPXDXSA-N
SMILES： CC(C)CCNC(=O)[C@H](C)NC(=O)CC(=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)：
  • [(S)-4-[(イソバレリル-L-Val-L-Val-)アミノ]-3-オキソ-6-メチルヘプタノイル]-L-Ala-(3-メチルブチル)-NH2
  • (4S)-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]-N-[(1S)-1-[(3-メチルブチル)カルバモイル]エチル]-3-オキソヘプタンアミド
  • (4S)-6-methyl-4-[(2S)-3-methyl-2-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]butanamido]-N-[(1S)-1-[(3-methylbutyl)carbamoyl]ethyl]-3-oxoheptanamide
Other name (1)：
  • [(S)-4-[(Isovaleryl-L-Val-L-Val-)amino]-3-oxo-6-methylheptanoyl]-L-Ala-(3-methylbutyl)-NH2
Thsaurus map：
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