Chem
J-GLOBAL ID：200907035666968164
Nikkaji number：J406.674J
(1S)-1,2,3,4-Tetrahydro-1α-[(R)-1-[(2,2,2-trichloroethoxycarbonyl)amino]-2-[(benzyloxycarbonyl)thio]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-[(ベンジルオキシカルボニル)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： C24H24Cl3N3O5S
Molecular formula furigana： C24-H24-CL3-N3-O5-S
Molecular weight： 572.880
InChI：
InChI=1S/C24H24Cl3N3O5S/c25-24(26,27)14-35-22(31)29-19(13-36-23(32)34-12-15-6-2-1-3-7-15)21-20-17(10-11-30(21)33)16-8-4-5-9-18(16)28-20/h1-9,19,21,28,33H,10-14H2,(H,29,31)/t19-,21-/m0/s1
InChI key：
JPHGAOJJPFQVAA-FPOVZHCZSA-N
SMILES：
ON1CCc2c([nH]c3ccccc23)[C@@H]1[C@H](CSC(=O)OCc1ccccc1)NC(=O)OCC(Cl)(Cl)Cl
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-[(ベンジルオキシカルボニル)チオ]エチル]-β-カルボリン-2-オール
- (ベンジルオキシ)({[(2R)-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]-2-{[(2,2,2-トリクロロエトキシ)カルボニル]アミノ}エチル]スルファニル})メタノン
- (benzyloxy)({[(2R)-2-[(1S)-2-hydroxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]-2-{[(2,2,2-trichloroethoxy)carbonyl]amino}ethyl]sulfanyl})methanone
- (1S)-1,2,3,4-Tetrahydro-1α-[(R)-1-[(2,2,2-trichloroethoxycarbonyl)amino]-2-[(benzyloxycarbonyl)thio]ethyl]-β-carbolin-2-ol
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