Chem
J-GLOBAL ID：200907044041993232
Nikkaji number：J1.027.316A
(S)-α-[[(2S,3R)-2-(Benzoylamino)-3-methylpentanoyl]amino]-1H-indole-3-propanal
(S)-α-[[(2S,3R)-2-(ベンゾイルアミノ)-3-メチルペンタノイル]アミノ]-1H-インドール-3-プロパナール
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： C24H27N3O3
Molecular formula furigana： C24-H27-N3-O3
Molecular weight： 405.498
InChI：
InChI=1S/C24H27N3O3/c1-3-16(2)22(27-23(29)17-9-5-4-6-10-17)24(30)26-19(15-28)13-18-14-25-21-12-8-7-11-20(18)21/h4-12,14-16,19,22,25H,3,13H2,1-2H3,(H,26,30)(H,27,29)/t16-,19+,22+/m1/s1
InChI key：
XALMMLXCBLXHHZ-WVBUVRCRSA-N
SMILES：
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O
Systematic name (3)：
- (S)-α-[[(2S,3R)-2-(ベンゾイルアミノ)-3-メチルペンタノイル]アミノ]-1H-インドール-3-プロパナール
- (2S,3R)-N-[(2S)-1-(1H-インドール-3-イル)-3-オキソプロパン-2-イル]-3-メチル-2-(フェニルホルムアミド)ペンタンアミド
- (2S,3R)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methyl-2-(phenylformamido)pentanamide
- (S)-α-[[(2S,3R)-2-(Benzoylamino)-3-methylpentanoyl]amino]-1H-indole-3-propanal
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