Chem
J-GLOBAL ID：200907040809543104
Nikkaji number：J1.027.311K
(S)-α-[[(2S,3R)-2-[3-(1-Naphthyl)thioureido]-3-methylpentanoyl]amino]-1H-indole-3-propanal
(S)-α-[[(2S,3R)-2-[3-(1-ナフチル)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： C28H30N4O2S
Molecular formula furigana： C28-H30-N4-O2-S
Molecular weight： 486.630
InChI：
InChI=1S/C28H30N4O2S/c1-3-18(2)26(32-28(35)31-25-14-8-10-19-9-4-5-11-22(19)25)27(34)30-21(17-33)15-20-16-29-24-13-7-6-12-23(20)24/h4-14,16-18,21,26,29H,3,15H2,1-2H3,(H,30,34)(H2,31,32,35)/t18-,21+,26+/m1/s1
InChI key：
ZDJKOPMEVPPKBM-JDITYXQVSA-N
SMILES：
CC[C@@H](C)[C@H](NC(=S)Nc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O
Systematic name (3)：
- (S)-α-[[(2S,3R)-2-[3-(1-ナフチル)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)-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-{[(ナフタレン-1-イル)カルバモチオイル]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-{[(naphthalen-1-yl)carbamothioyl]amino}pentanamide
- (S)-α-[[(2S,3R)-2-[3-(1-Naphthyl)thioureido]-3-methylpentanoyl]amino]-1H-indole-3-propanal
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