Chem
J-GLOBAL ID：200907059186720754
Nikkaji number：J1.027.310B
(S)-α-[[(2S,3R)-2-(3-Benzylthioureido)-3-methylpentanoyl]amino]-1H-indole-3-propanal
(S)-α-[[(2S,3R)-2-(3-ベンジルチオウレイド)-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： C25H30N4O2S
Molecular formula furigana： C25-H30-N4-O2-S
Molecular weight： 450.600
InChI：
InChI=1S/C25H30N4O2S/c1-3-17(2)23(29-25(32)27-14-18-9-5-4-6-10-18)24(31)28-20(16-30)13-19-15-26-22-12-8-7-11-21(19)22/h4-12,15-17,20,23,26H,3,13-14H2,1-2H3,(H,28,31)(H2,27,29,32)/t17-,20+,23+/m1/s1
InChI key：
GJLXFFKSGIYTBC-MONBJTKQSA-N
SMILES：
CC[C@@H](C)[C@H](NC(=S)NCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O
Systematic name (3)：
- (S)-α-[[(2S,3R)-2-(3-ベンジルチオウレイド)-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)-2-[(ベンジルカルバモチオイル)アミノ]-N-[(2S)-1-(1H-インドール-3-イル)-3-オキソプロパン-2-イル]-3-メチルペンタンアミド
- (2S,3R)-2-[(benzylcarbamothioyl)amino]-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylpentanamide
- (S)-α-[[(2S,3R)-2-(3-Benzylthioureido)-3-methylpentanoyl]amino]-1H-indole-3-propanal
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