Chem
J-GLOBAL ID：200907003361360825   Nikkaji number：J1.446.134E

(2S,5β)-2β-(Diphenylmethoxycarbonyl)-3,3-dimethyl-6α-[[5β-(phenylthio)-2-isoxazoline-3-yl]methyl]-7-oxo-1-aza-4-thiabicyclo[3.2.0]heptane4,4-dioxide

(2S,5β)-2β-(ジフェニルメトキシカルボニル)-3,3-ジメチル-6α-[[5β-(フェニルチオ)-2-イソオキサゾリン-3-イル]メチル]-7-オキソ-1-アザ-4-チアビシクロ[3.2.0]ヘプタン4,4-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： C31H30N2O4[O-]2S[S+2]
Molecular formula furigana： C31-H30-N2-O6-S2
Molecular weight： 590.710
InChI： InChI=1S/C31H30N2O6S2/c1-31(2)27(30(35)38-26(20-12-6-3-7-13-20)21-14-8-4-9-15-21)33-28(34)24(29(33)41(31,36)37)18-22-19-25(39-32-22)40-23-16-10-5-11-17-23/h3-17,24-27,29H,18-19H2,1-2H3/t24-,25-,27+,29-/m1/s1
InChI key： QPUWMEBDBWHQDF-MCXWQWDOSA-N
SMILES： CC1(C)[C@@H](N2[C@@H]([C@H](CC3=NO[C@@H](C3)Sc3ccccc3)C2=O)[S+2]1([O-])[O-])C(=O)OC(c1ccccc1)c1ccccc1
Systematic name  (3)：
  • (2S,5β)-2β-(ジフェニルメトキシカルボニル)-3,3-ジメチル-6α-[[5β-(フェニルチオ)-2-イソオキサゾリン-3-イル]メチル]-7-オキソ-1-アザ-4-チアビシクロ[3.2.0]ヘプタン4,4-ジオキシド
  • (2S,5R,6R)-2-[(ジフェニルメトキシ)カルボニル]-3,3-ジメチル-7-オキソ-6-{[(5R)-5-(フェニルスルファニル)-4,5-ジヒドロ-1,2-オキサゾール-3-イル]メチル}-4-チア-1-アザビシクロ[3.2.0]ヘプタン-4,4-ジイウム-4,4-ビス(オラート)
  • (2S,5R,6R)-2-[(diphenylmethoxy)carbonyl]-3,3-dimethyl-7-oxo-6-{[(5R)-5-(phenylsulfanyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl}-4-thia-1-azabicyclo[3.2.0]heptane-4,4-diium-4,4-bis(olate)
Other name (1)：
  • (2S,5β)-2β-(Diphenylmethoxycarbonyl)-3,3-dimethyl-6α-[[5β-(phenylthio)-2-isoxazoline-3-yl]methyl]-7-oxo-1-aza-4-thiabicyclo[3.2.0]heptane4,4-dioxide
Thsaurus map：
Thesaurus Map

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