Chem
J-GLOBAL ID:200907024267415370   Nikkaji number:J577.323G

Ro-46-5734

メチル (4S,7S)-7-アミノ-14-ヒドロキシ-12-メトキシ-11-メチル-6,10-ジオキソ-1,3,4,5,6,7,8,10-オクタヒドロ-9,2,5-ベンゾオキサチアザシクロドデシン-4-カルボキシラート
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: C17H22N2O7S
Molecular formula furigana: C17-H22-N2-O7-S
Molecular weight: 398.430
InChI: InChI=1S/C17H22N2O7S/c1-8-13(24-2)4-12(20)9-6-27-7-11(16(22)25-3)19-15(21)10(18)5-26-17(23)14(8)9/h4,10-11,20H,5-7,18H2,1-3H3,(H,19,21)/t10-,11+/m0/s1
InChI key: ZVIJYGBWISCLIA-WDEREUQCSA-N
SMILES: COC(=O)[C@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OC[C@H](N)C(=O)N1
Systematic name  (3):
  • (8S,11S)-11-アミノ-5,7,8,9,10,11,12,14-オクタヒドロ-4-ヒドロキシ-2-メトキシ-1-メチル-10,14-ジオキソ-9-アザ-13-オキサ-6-チアベンゾシクロドデセン-8-カルボン酸メチル
  • メチル (4S,7S)-7-アミノ-14-ヒドロキシ-12-メトキシ-11-メチル-6,10-ジオキソ-1,3,4,5,6,7,8,10-オクタヒドロ-9,2,5-ベンゾオキサチアザシクロドデシン-4-カルボキシラート
  • methyl (4S,7S)-7-amino-14-hydroxy-12-methoxy-11-methyl-6,10-dioxo-1,3,4,5,6,7,8,10-octahydro-9,2,5-benzoxathiazacyclododecine-4-carboxylate
Other name (2):
  • Ro-46-5734
  • (8S,11S)-11-Amino-5,7,8,9,10,11,12,14-octahydro-4-hydroxy-2-methoxy-1-methyl-10,14-dioxo-9-aza-13-oxa-6-thiabenzocyclododecene-8-carboxylic acid methyl ester
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