2-Butyl-3-{[2'-(2-D-glucopyranuronosyl-2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-4-oxo-1,3-diazaspiro[4.4]non-1-ene
2-Butyl-3-{[2'-(2-D-glucopyranuronosyl-2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-4-oxo-1,3-diazaspiro[4.4]non-1-ene · CAS 160205-58-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-Butyl-3-{[2'-(2-D-glucopyranuronosyl-2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-4-oxo-1,3-diazaspiro[4.4]non-1-ene
- CAS
- 160205-58-3
- CID
- 49849741
- IUPAC 名称
- (2S,3S,4S,5R)-6-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]tetrazol-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-Butyl-3-{[2'-(2-D-glucopyranuronosyl-2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-4-oxo-1,3-diazaspiro[4.4]non-1-ene
- CAS
- 160205-58-3
- CID
- 49849741
- IUPAC 名称
- (2S,3S,4S,5R)-6-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]tetrazol-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
分子属性
- 分子式
- C31H36N6O7
- 分子量
- 604.7 g/mol
- 精确质量
- 604.26454751 Da
- 单同位素质量
- 604.26454751 Da
- XLogP
- 2.8
- 极性表面积
- 183 Ų
- 氢键供体
- 4
- 氢键受体
- 11
- 可旋转键
- 9
- 重原子数
- 44
- 净电荷
- 0
- 结构复杂度
- 1060
结构标识
- InChIKey
- FVBDVTHTYLLSQE-TXZJZKILSA-N
- SMILES
- CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN(N=N5)C6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
- InChI
- InChI=1S/C31H36N6O7/c1-2-3-10-22-32-31(15-6-7-16-31)30(43)36(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)27-33-35-37(34-27)28-25(40)23(38)24(39)26(44-28)29(41)42/h4-5,8-9,11-14,23-26,28,38-40H,2-3,6-7,10,15-17H2,1H3,(H,41,42)/t23-,24-,25+,26-,28?/m0/s1