(1R,5S,6S)-2-((1-(4,5-dihydrothiazol-2-yl)azetidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-1-methyl-6-(4-nitrobenzyl)-7-oxobicyclo[3.2.0]hept-2-ene-3-carboxylic acid
(1R,5S,6S)-2-((1-(4,5-dihydrothiazol-2-yl)azetidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-1-methyl-6-(4-nitrobenzyl)-7-oxobicyclo[3.2.0]hept-2-ene-3-carboxylic acid · CAS 161715-20-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1R,5S,6S)-2-((1-(4,5-dihydrothiazol-2-yl)azetidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-1-methyl-6-(4-nitrobenzyl)-7-oxobicyclo[3.2.0]hept-2-ene-3-carboxylic acid
- CAS
- 161715-20-4
- CID
- 92043100
- IUPAC 名称
- (1R,5S,6S)-2-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-1-methyl-6-[(4-nitrophenyl)methyl]-7-oxobicyclo[3.2.0]hept-2-ene-3-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1R,5S,6S)-2-((1-(4,5-dihydrothiazol-2-yl)azetidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-1-methyl-6-(4-nitrobenzyl)-7-oxobicyclo[3.2.0]hept-2-ene-3-carboxylic acid
- CAS
- 161715-20-4
- CID
- 92043100
- IUPAC 名称
- (1R,5S,6S)-2-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-1-methyl-6-[(4-nitrophenyl)methyl]-7-oxobicyclo[3.2.0]hept-2-ene-3-carboxylic acid
分子属性
- 分子式
- C24H27N3O6S2
- 分子量
- 517.6 g/mol
- 精确质量
- 517.13412794 Da
- 单同位素质量
- 517.13412794 Da
- XLogP
- 2.6
- 极性表面积
- 187 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 7
- 重原子数
- 35
- 净电荷
- 0
- 结构复杂度
- 998
结构标识
- InChIKey
- VQXNMVCVJPPTHN-NAVZNGSCSA-N
- SMILES
- C[C@H]([C@@]1([C@@H]2CC(=C([C@]2(C1=O)C)SC3CN(C3)C4=NCCS4)C(=O)O)CC5=CC=C(C=C5)[N+](=O)[O-])O
- InChI
- InChI=1S/C24H27N3O6S2/c1-13(28)24(10-14-3-5-15(6-4-14)27(32)33)18-9-17(20(29)30)19(23(18,2)21(24)31)35-16-11-26(12-16)22-25-7-8-34-22/h3-6,13,16,18,28H,7-12H2,1-2H3,(H,29,30)/t13-,18-,23+,24-/m1/s1