Chem
J-GLOBAL ID：201407050601535804   Nikkaji number：J3.272.909F

GSK-2330672

(3R)-3β-ブチル-3-エチル-5α-フェニル-7-メトキシ-8-[1-(2-オキソ-2-ヒドロキシエチル)-3-オキソ-3-ヒドロキシプロピルアミノメチル]-2,3,4,5-テトラヒドロ-1,4-ベンゾチアゼピン1,1-ジオキシド
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： C28H38N2O5[O-]2[S+2]
Molecular formula furigana： C28-H38-N2-O7-S
Molecular weight： 546.680
InChI： InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1
InChI key： CZGVOBIGEBDYTP-VSGBNLITSA-N
SMILES： CCCC[C@]1(CC)C[S+2]([O-])([O-])c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@H](N1)c1ccccc1
Systematic name  (3)：
  • (3R)-3β-ブチル-3-エチル-5α-フェニル-7-メトキシ-8-[1-(2-オキソ-2-ヒドロキシエチル)-3-オキソ-3-ヒドロキシプロピルアミノメチル]-2,3,4,5-テトラヒドロ-1,4-ベンゾチアゼピン1,1-ジオキシド
  • (3R,5R)-3-ブチル-8-{[(1,3-ジカルボキシプロパン-2-イル)アミノ]メチル}-3-エチル-7-メトキシ-5-フェニル-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾチアゼピン-1,1-ジイウム-1,1-ビス(オラート)
  • (3R,5R)-3-butyl-8-{[(1,3-dicarboxypropan-2-yl)amino]methyl}-3-ethyl-7-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzothiazepine-1,1-diium-1,1-bis(olate)
Other name (2)：
  • (3R)-3β-Butyl-3-ethyl-5α-phenyl-7-methoxy-8-[1-(2-oxo-2-hydroxyethyl)-3-oxo-3-hydroxypropylaminomethyl]-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide
  • GSK-2330672
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