6-((1-Hydroxy-2-phenylethylidene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid--2-(methylamino)-1,2-diphenylethan-1-ol (1/1)
6-((1-Hydroxy-2-phenylethylidene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid--2-(methylamino)-1,2-diphenylethan-1-ol (1/1) · CAS 7177-43-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 6-((1-Hydroxy-2-phenylethylidene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid--2-(methylamino)-1,2-diphenylethan-1-ol (1/1)
- CAS
- 7177-43-7
- CID
- 197867
- IUPAC 名称
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-(methylamino)-1,2-diphenylethanol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 6-((1-Hydroxy-2-phenylethylidene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid--2-(methylamino)-1,2-diphenylethan-1-ol (1/1)
- CAS
- 7177-43-7
- CID
- 197867
- IUPAC 名称
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-(methylamino)-1,2-diphenylethanol
分子属性
- 分子式
- C31H35N3O5S
- 分子量
- 561.7 g/mol
- 精确质量
- 561.2297424 Da
- 单同位素质量
- 561.2297424 Da
- XLogP
- 暂无
- 极性表面积
- 144 Ų
- 氢键供体
- 4
- 氢键受体
- 7
- 可旋转键
- 8
- 重原子数
- 40
- 净电荷
- 0
- 结构复杂度
- 737
结构标识
- InChIKey
- XQBNHSTXTGKXIL-LQDWTQKMSA-N
- SMILES
- CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CNC(C1=CC=CC=C1)C(C2=CC=CC=C2)O
- InChI
- InChI=1S/C16H18N2O4S.C15H17NO/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);2-11,14-17H,1H3/t11-,12+,14-;/m1./s1