Chem
J-GLOBAL ID：200907060424743634
Nikkaji number：J1.027.305F
(S)-α-[[(2S,3R)-2-[3-(3-Methylphenyl)ureido]-3-methylpentanoyl]amino]-1H-indole-3-propanal
(S)-α-[[(2S,3R)-2-[3-(3-メチルフェニル)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： C25H30N4O3
Molecular formula furigana： C25-H30-N4-O3
Molecular weight： 434.540
InChI：
InChI=1S/C25H30N4O3/c1-4-17(3)23(29-25(32)28-19-9-7-8-16(2)12-19)24(31)27-20(15-30)13-18-14-26-22-11-6-5-10-21(18)22/h5-12,14-15,17,20,23,26H,4,13H2,1-3H3,(H,27,31)(H2,28,29,32)/t17-,20+,23+/m1/s1
InChI key：
BUOGXVARMRYPBH-MONBJTKQSA-N
SMILES：
CC[C@@H](C)[C@H](NC(=O)Nc1cccc(C)c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O
Systematic name (3)：
- (S)-α-[[(2S,3R)-2-[3-(3-メチルフェニル)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-{[(3-メチルフェニル)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-{[(3-methylphenyl)carbamoyl]amino}pentanamide
- (S)-α-[[(2S,3R)-2-[3-(3-Methylphenyl)ureido]-3-methylpentanoyl]amino]-1H-indole-3-propanal
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