Chem
J-GLOBAL ID：201607009624783967   Nikkaji number：J3.479.997K

Beclabuvir

ベクラブビル
Substance type：
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
Molecular formula： C30H35N5O5S
Molecular formula furigana： C30-H35-N5-O5-S
Molecular weight： 577.700
InChI： InChI=1S/C30H35N5O5S/c1-32(2)41(38,39)31-28(36)19-6-5-18-11-27-23-10-9-22(40-4)13-24(23)25-14-30(25,17-34(27)26(18)12-19)29(37)35-20-7-8-21(35)16-33(3)15-20/h5-6,9-13,20-21,25H,7-8,14-17H2,1-4H3,(H,31,36)/t20-,21+,25-,30-/m0/s1
InChI key： JOWCFSLIGMEXAL-JBENGQPYSA-N
SMILES： COc1ccc2c3cc4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1[C@H]2CC[C@@H]1CN(C)C2)C(=O)NS(=O)(=O)N(C)C
Systematic name  (3)：
  • (2S,4R)-N-(ジメチルスルファモイル)-18-メトキシ-4-[[(1R,5S)-3-メチル-3,8-ジアザビシクロ[3.2.1]オクタン-8-イル]カルボニル]-6-アザペンタシクロ[13.4.0.02,4.06,14.07,12]ノナデカン-1(19),7,9,11,13,15,17-ヘプタエン-9-カルボアミド
  • (8S,10R)-N-(ジメチルスルファモイル)-5-メトキシ-10-[(1R,5S)-3-メチル-3,8-ジアザビシクロ[3.2.1]オクタン-8-カルボニル]-12-アザペンタシクロ[10.7.0.02,7.08,10.013,18]ノナデカ-1(19),2,4,6,13,15,17-ヘプタエン-15-カルボキサミド
  • (8S,10R)-N-(dimethylsulfamoyl)-5-methoxy-10-[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13,15,17-heptaene-15-carboxamide
Other name (3)：
  • (2S,4R)-N-(Dimethylsulfamoyl)-18-methoxy-4-[[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-yl]carbonyl]-6-azapentacyclo[13.4.0.02,4.06,14.07,12]nonadecane-1(19),7,9,11,13,15,17-heptaene-9-carboxamide
  • Beclabuvir
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CAS registry number： 958002-33-0
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