Chem
J-GLOBAL ID：200907062784997320
Nikkaji number：J1.027.307B
(S)-α-[[(2S,3R)-2-(3-Isopropylureido)-3-methylpentanoyl]amino]-1H-indole-3-propanal
(S)-α-[[(2S,3R)-2-(3-イソプロピルウレイド)-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： C21H30N4O3
Molecular formula furigana： C21-H30-N4-O3
Molecular weight： 386.496
InChI：
InChI=1S/C21H30N4O3/c1-5-14(4)19(25-21(28)23-13(2)3)20(27)24-16(12-26)10-15-11-22-18-9-7-6-8-17(15)18/h6-9,11-14,16,19,22H,5,10H2,1-4H3,(H,24,27)(H2,23,25,28)/t14-,16+,19+/m1/s1
InChI key：
WCOMDIVUMMKSKH-ALKREAHSSA-N
SMILES：
CC[C@@H](C)[C@H](NC(=O)NC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O
Systematic name (3)：
- (S)-α-[[(2S,3R)-2-(3-イソプロピルウレイド)-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-{[(プロパン-2-イル)カルバモイル]アミノ}ペンタンアミド
- (2S,3R)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methyl-2-{[(propan-2-yl)carbamoyl]amino}pentanamide
- (S)-α-[[(2S,3R)-2-(3-Isopropylureido)-3-methylpentanoyl]amino]-1H-indole-3-propanal
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