Chem
J-GLOBAL ID：200907080141829142
Nikkaji number：J357.359A
[(3S,4S)-4-[(Isovaleryl-L-Val-)amino]-3-hydroxy-6-methylheptanoyl]-L-Ala-(3-methylbutyl)-NH2
[(3S,4S)-4-[(イソバレリル-L-Val-)アミノ]-3-ヒドロキシ-6-メチルヘプタノイル]-L-Ala-(3-メチルブチル)-NH2
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
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
Molecular formula： C26H50N4O5
Molecular formula furigana： C26-H50-N4-O5
Molecular weight： 498.709
InChI：
InChI=1S/C26H50N4O5/c1-15(2)10-11-27-25(34)19(9)28-23(33)14-21(31)20(12-16(3)4)29-26(35)24(18(7)8)30-22(32)13-17(5)6/h15-21,24,31H,10-14H2,1-9H3,(H,27,34)(H,28,33)(H,29,35)(H,30,32)/t19-,20-,21-,24-/m0/s1
InChI key：
JQOFUZAKCVQZTH-CIEVZJJWSA-N
SMILES：
CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C
Systematic name (3)：
- [(3S,4S)-4-[(イソバレリル-L-Val-)アミノ]-3-ヒドロキシ-6-メチルヘプタノイル]-L-Ala-(3-メチルブチル)-NH2
- (3S,4S)-3-ヒドロキシ-6-メチル-4-[(2S)-3-メチル-2-(3-メチルブタンアミド)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]ヘプタンアミド
- (3S,4S)-3-hydroxy-6-methyl-4-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]-N-[(1S)-1-[(3-methylbutyl)carbamoyl]ethyl]heptanamide
- [(3S,4S)-4-[(Isovaleryl-L-Val-)amino]-3-hydroxy-6-methylheptanoyl]-L-Ala-(3-methylbutyl)-NH2
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