HCID56631626

Benzhydryl penicillin V sulfoxide, (S)-

benzhydryl (2S,4S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenoxyacetyl)amino]-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

C29H28N2O6S532.6 g/molCAS 37591-67-6

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IDENTITY

结构与身份

标准 SMILES: CC1(C)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2[S@]1=O
InChIKey: LCRVLXSXMGVJHV-RNSLDFKCSA-N
分子式: C29H28N2O6S
平均分子量: 532.6 g/mol
单同位素质量: 532.16680779

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 121 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 9
重原子: 38
形式电荷: 0
复杂度: 889

ALIASES

名称与别名

共 14 条

39IAK57H5MBenzhydryl penicillin V sulfoxide, (S)-37591-67-6EINECS 253-558-4UNII-39IAK57H5MDiphenylmethyl (2S(2alpha,4beta,5alpha,6beta))-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate 4-oxideDTXSID00191028LCRVLXSXMGVJHV-RNSLDFKCSA-NPENICILLIN V SULFOXIDE BENZHYDRYL ESTER, (S)-(1S,3S,5R,6R) 2,2-Dimethyl-6-phenoxyacetamidopenam-3-carboxylic acid-1-oxide diphenylmethyl ester(1S,3S,5R,6R)2,2-Dimethyl-6-phenoxyacetamidopenam-3-carboxylic acid-1-oxide diphenylmethyl ester4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((PHENOXYACETYL)AMINO)-, DIPHENYLMETHYL ESTER, 4-OXIDE, (2S-(2.ALPHA.,4.BETA.,5.ALPHA.,6.BETA.))-Diphenylmethyl (2S,4S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-(2-phenoxyacetamido)-4lambda~4~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateDiphenylmethyl (2S,4S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide

REACTIONS