Chem
J-GLOBAL ID：200907099844724779
Nikkaji number：J406.671E
(1S)-1,2,3,4-Tetrahydro-1α-[(R)-1-[(tert-butoxycarbonyl)amino]-2-[(2,2,2-trichloroethoxycarbonyl)thio]ethyl]-β-carbolin-2-ol
(1S)-1,2,3,4-テトラヒドロ-1α-[(R)-1-[(tert-ブトキシカルボニル)アミノ]-2-[(2,2,2-トリクロロエトキシカルボニル)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： C21H26Cl3N3O5S
Molecular formula furigana： C21-H26-CL3-N3-O5-S
Molecular weight： 538.870
InChI：
InChI=1S/C21H26Cl3N3O5S/c1-20(2,3)32-18(28)26-15(10-33-19(29)31-11-21(22,23)24)17-16-13(8-9-27(17)30)12-6-4-5-7-14(12)25-16/h4-7,15,17,25,30H,8-11H2,1-3H3,(H,26,28)/t15-,17-/m0/s1
InChI key：
BFMXSLTUMWEDAF-RDJZCZTQSA-N
SMILES：
CC(C)(C)OC(=O)N[C@@H](CSC(=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-[(tert-ブトキシカルボニル)アミノ]-2-[(2,2,2-トリクロロエトキシカルボニル)チオ]エチル]-β-カルボリン-2-オール
- {[(2R)-2-{[(tert-ブトキシ)カルボニル]アミノ}-2-[(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]エチル]スルファニル}(2,2,2-トリクロロエトキシ)メタノン
- {[(2R)-2-{[(tert-butoxy)carbonyl]amino}-2-[(1S)-2-hydroxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]ethyl]sulfanyl}(2,2,2-trichloroethoxy)methanone
- (1S)-1,2,3,4-Tetrahydro-1α-[(R)-1-[(tert-butoxycarbonyl)amino]-2-[(2,2,2-trichloroethoxycarbonyl)thio]ethyl]-β-carbolin-2-ol
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