2,3-dihydroxybutanedioic acid;methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
2,3-dihydroxybutanedioic acid;methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate · CAS 4168-17-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2,3-dihydroxybutanedioic acid;methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
- CAS
- 4168-17-6
- CID
- 24721367
- IUPAC 名称
- 2,3-dihydroxybutanedioic acid;methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2,3-dihydroxybutanedioic acid;methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
- CAS
- 4168-17-6
- CID
- 24721367
- IUPAC 名称
- 2,3-dihydroxybutanedioic acid;methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
分子属性
- 分子式
- C25H30N2O8
- 分子量
- 486.5 g/mol
- 精确质量
- 486.20021592 Da
- 单同位素质量
- 486.20021592 Da
- XLogP
- 暂无
- 极性表面积
- 160 Ų
- 氢键供体
- 5
- 氢键受体
- 9
- 可旋转键
- 6
- 重原子数
- 35
- 净电荷
- 0
- 结构复杂度
- 737
结构标识
- InChIKey
- JYBKPXVXYJDIFX-GYMDHWDQSA-N
- SMILES
- CCC1=C[C@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O
- InChI
- InChI=1S/C21H24N2O2.C4H6O6/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18;5-1(3(7)8)2(6)4(9)10/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t13-,19+,21-;/m0./s1