Chem
J-GLOBAL ID：200907097090390515
Nikkaji number：J359.108E
[(2S,7S)-2-Amino-7-[(isovaleryl-L-Val-)amino]-6-oxo-5-hydroxy-9-methyldecanoyl]-L-Ala-(3-methylbutyl)-NH2
[(2S,7S)-2-アミノ-7-[(イソバレリル-L-Val-)アミノ]-6-オキソ-5-ヒドロキシ-9-メチルデカノイル]-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： C29H55N5O6
Molecular formula furigana： C29-H55-N5-O6
Molecular weight： 569.788
InChI：
InChI=1S/C29H55N5O6/c1-16(2)12-13-31-27(38)20(9)32-28(39)21(30)10-11-23(35)26(37)22(14-17(3)4)33-29(40)25(19(7)8)34-24(36)15-18(5)6/h16-23,25,35H,10-15,30H2,1-9H3,(H,31,38)(H,32,39)(H,33,40)(H,34,36)/t20-,21-,22-,23?,25-/m0/s1
InChI key：
DDMDBEOFDCBABP-JORXPLQFSA-N
SMILES：
CC(C)CCNC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C
Systematic name (3)：
- [(2S,7S)-2-アミノ-7-[(イソバレリル-L-Val-)アミノ]-6-オキソ-5-ヒドロキシ-9-メチルデカノイル]-L-Ala-(3-メチルブチル)-NH2
- (2S,7S)-2-アミノ-5-ヒドロキシ-9-メチル-7-[(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]-6-オキソデカンアミド
- (2S,7S)-2-amino-5-hydroxy-9-methyl-7-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]-N-[(1S)-1-[(3-methylbutyl)carbamoyl]ethyl]-6-oxodecanamide
- [(2S,7S)-2-Amino-7-[(isovaleryl-L-Val-)amino]-6-oxo-5-hydroxy-9-methyldecanoyl]-L-Ala-(3-methylbutyl)-NH2
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