Chem
J-GLOBAL ID：200907043248325403
Nikkaji number：J823.152D
(2R,3E,5S)-2-(1-Methylethyl)-5-[(tert-butyloxycarbonyl)amino]-6-[1-(methylsulfonyl)-1H-indol-3-yl]-3-hexenoic acid methyl ester
(2R,3E,5S)-2-(1-メチルエチル)-5-[(tert-ブチルオキシカルボニル)アミノ]-6-[1-(メチルスルホニル)-1H-インドール-3-イル]-3-ヘキセン酸メチル
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： C24H34N2O6S
Molecular formula furigana： C24-H34-N2-O6-S
Molecular weight： 478.600
InChI：
InChI=1S/C24H34N2O6S/c1-16(2)19(22(27)31-6)13-12-18(25-23(28)32-24(3,4)5)14-17-15-26(33(7,29)30)21-11-9-8-10-20(17)21/h8-13,15-16,18-19H,14H2,1-7H3,(H,25,28)/b13-12+/t18-,19+/m1/s1
InChI key：
QUOUIJNOCQFKNT-VUDPSUQNSA-N
SMILES：
COC(=O)[C@@H](/C=C/[C@H](Cc1cn(c2ccccc12)S(=O)(=O)C)NC(=O)OC(C)(C)C)C(C)C
Systematic name (3)：
- (2R,3E,5S)-2-(1-メチルエチル)-5-[(tert-ブチルオキシカルボニル)アミノ]-6-[1-(メチルスルホニル)-1H-インドール-3-イル]-3-ヘキセン酸メチル
- メチル (2R,3E,5S)-5-{[(tert-ブトキシ)カルボニル]アミノ}-6-(1-メタンスルホニル-1H-インドール-3-イル)-2-(プロパン-2-イル)ヘキサ-3-エノアート
- methyl (2R,3E,5S)-5-{[(tert-butoxy)carbonyl]amino}-6-(1-methanesulfonyl-1H-indol-3-yl)-2-(propan-2-yl)hex-3-enoate
- (2R,3E,5S)-2-(1-Methylethyl)-5-[(tert-butyloxycarbonyl)amino]-6-[1-(methylsulfonyl)-1H-indol-3-yl]-3-hexenoic acid methyl ester
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