5-(N-(3-(4-Boronobenzamido)-2-hydroxypropyl)sulfamoyl)-2-((4-(ethylamino)-3-methylphenyl)(4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene)methyl)benzenesulfonic acid
5-(N-(3-(4-Boronobenzamido)-2-hydroxypropyl)sulfamoyl)-2-((4-(ethylamino)-3-methylphenyl)(4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene)methyl)benzenesulfonic acid · CAS 191231-97-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 5-(N-(3-(4-Boronobenzamido)-2-hydroxypropyl)sulfamoyl)-2-((4-(ethylamino)-3-methylphenyl)(4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene)methyl)benzenesulfonic acid
- CAS
- 191231-97-7
- CID
- 22457371
- IUPAC 名称
- 5-[[3-[(4-boronobenzoyl)amino]-2-hydroxypropyl]sulfamoyl]-2-[(E)-[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 5-(N-(3-(4-Boronobenzamido)-2-hydroxypropyl)sulfamoyl)-2-((4-(ethylamino)-3-methylphenyl)(4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene)methyl)benzenesulfonic acid
- CAS
- 191231-97-7
- CID
- 22457371
- IUPAC 名称
- 5-[[3-[(4-boronobenzoyl)amino]-2-hydroxypropyl]sulfamoyl]-2-[(E)-[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
分子属性
- 分子式
- C35H41BN4O9S2
- 分子量
- 736.7 g/mol
- 精确质量
- 736.2408014 Da
- 单同位素质量
- 736.2408014 Da
- XLogP
- 暂无
- 极性表面积
- 231 Ų
- 氢键供体
- 7
- 氢键受体
- 12
- 可旋转键
- 14
- 重原子数
- 51
- 净电荷
- 0
- 结构复杂度
- 1540
结构标识
- InChIKey
- IPLVPBACMPHHTN-DRWSNIMMSA-N
- SMILES
- B(C1=CC=C(C=C1)C(=O)NCC(CNS(=O)(=O)C2=CC(=C(C=C2)/C(=C/3\C=CC(=NCC)C(=C3)C)/C4=CC(=C(C=C4)NCC)C)S(=O)(=O)O)O)(O)O
- InChI
- InChI=1S/C35H41BN4O9S2/c1-5-37-31-15-9-25(17-22(31)3)34(26-10-16-32(38-6-2)23(4)18-26)30-14-13-29(19-33(30)51(47,48)49)50(45,46)40-21-28(41)20-39-35(42)24-7-11-27(12-8-24)36(43)44/h7-19,28,37,40-41,43-44H,5-6,20-21H2,1-4H3,(H,39,42)(H,47,48,49)/b34-26+,38-32?