Chem
J-GLOBAL ID：200907080401961139
Nikkaji number：J406.677D
(1R)-1,2,3,4-Tetrahydro-1β-[(R)-1-[(methoxycarbonyl)amino]-2-[(2,2,2-trichloroethoxycarbonyl)thio]ethyl]-β-carbolin-2-ol
(1R)-1,2,3,4-テトラヒドロ-1β-[(R)-1-[(メトキシカルボニル)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： C18H20Cl3N3O5S
Molecular formula furigana： C18-H20-CL3-N3-O5-S
Molecular weight： 496.780
InChI：
InChI=1S/C18H20Cl3N3O5S/c1-28-16(25)23-13(8-30-17(26)29-9-18(19,20)21)15-14-11(6-7-24(15)27)10-4-2-3-5-12(10)22-14/h2-5,13,15,22,27H,6-9H2,1H3,(H,23,25)/t13-,15+/m0/s1
InChI key：
QFXRXHCERDBZJN-DZGCQCFKSA-N
SMILES：
COC(=O)N[C@@H](CSC(=O)OCC(Cl)(Cl)Cl)[C@H]1N(O)CCc2c1[nH]c1ccccc21
Systematic name (3)：
- (1R)-1,2,3,4-テトラヒドロ-1β-[(R)-1-[(メトキシカルボニル)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-[(1R)-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-[(メトキシカルボニル)アミノ]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-[(1R)-2-hydroxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]-2-[(methoxycarbonyl)amino]ethyl]sulfanyl}(2,2,2-trichloroethoxy)methanone
- (1R)-1,2,3,4-Tetrahydro-1β-[(R)-1-[(methoxycarbonyl)amino]-2-[(2,2,2-trichloroethoxycarbonyl)thio]ethyl]-β-carbolin-2-ol
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