Chem
J-GLOBAL ID：200907032276341226
Nikkaji number：J406.673A
(1S)-1,2,3,4-Tetrahydro-1α-[(R)-1-[(2,2,2-trichloroethoxycarbonyl)amino]-2-[methylthio]ethyl]-β-carbolin-2-ol
(1S)-1,2,3,4-テトラヒドロ-1α-[(R)-1-[(2,2,2-トリクロロエトキシカルボニル)アミノ]-2-[メチルチオ]エチル]-β-カルボリン-2-オール
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： C17H20Cl3N3O3S
Molecular formula furigana： C17-H20-CL3-N3-O3-S
Molecular weight： 452.780
InChI：
InChI=1S/C17H20Cl3N3O3S/c1-27-8-13(22-16(24)26-9-17(18,19)20)15-14-11(6-7-23(15)25)10-4-2-3-5-12(10)21-14/h2-5,13,15,21,25H,6-9H2,1H3,(H,22,24)/t13-,15-/m0/s1
InChI key：
RXZIDBKALLMEIJ-ZFWWWQNUSA-N
SMILES：
CSC[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H]1N(O)CCc2c1[nH]c1ccccc21
Systematic name (3)：
- (1S)-1,2,3,4-テトラヒドロ-1α-[(R)-1-[(2,2,2-トリクロロエトキシカルボニル)アミノ]-2-[メチルチオ]エチル]-β-カルボリン-2-オール
- 2,2,2-トリクロロエチル N-[(1R)-1-[(1S)-2-ヒドロキシ-1H,2H,3H,4H,9H-ピリド[3,4-b]インドール-1-イル]-2-(メチルスルファニル)エチル]カルバマート
- 2,2,2-trichloroethyl N-[(1R)-1-[(1S)-2-hydroxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]-2-(methylsulfanyl)ethyl]carbamate
- (1S)-1,2,3,4-Tetrahydro-1α-[(R)-1-[(2,2,2-trichloroethoxycarbonyl)amino]-2-[methylthio]ethyl]-β-carbolin-2-ol
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