Vincaleukoblastine, O4-deacetyl-3-de(methoxycarbonyl)-3-[[[1-(ethoxycarbonyl)-2-methylbutyl]amino]carbonyl]-
Vincaleukoblastine, O4-deacetyl-3-de(methoxycarbonyl)-3-[[[1-(ethoxycarbonyl)-2-methylbutyl]amino]carbonyl]- · CAS 81571-28-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Vincaleukoblastine, O4-deacetyl-3-de(methoxycarbonyl)-3-[[[1-(ethoxycarbonyl)-2-methylbutyl]amino]carbonyl]-
- CAS
- 81571-28-0
- CID
- 435129
- IUPAC 名称
- methyl 13-[10-[(1-ethoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Vincaleukoblastine, O4-deacetyl-3-de(methoxycarbonyl)-3-[[[1-(ethoxycarbonyl)-2-methylbutyl]amino]carbonyl]-
- CAS
- 81571-28-0
- CID
- 435129
- IUPAC 名称
- methyl 13-[10-[(1-ethoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
分子属性
- 分子式
- C51H69N5O9
- 分子量
- 896.1 g/mol
- 精确质量
- 895.5095288 Da
- 单同位素质量
- 895.5095288 Da
- XLogP
- 5.1
- 极性表面积
- 177 Ų
- 氢键供体
- 5
- 氢键受体
- 12
- 可旋转键
- 13
- 重原子数
- 65
- 净电荷
- 0
- 结构复杂度
- 1840
结构标识
- InChIKey
- QSTPFUDHVVIGCL-UHFFFAOYSA-N
- SMILES
- CCC(C)C(C(=O)OCC)NC(=O)C1(C2C3(CCN4C3C(C1O)(C=CC4)CC)C5=CC(=C(C=C5N2C)OC)C6(CC7CC(CN(C7)CCC8=C6NC9=CC=CC=C89)(CC)O)C(=O)OC)O
- InChI
- InChI=1S/C51H69N5O9/c1-9-30(5)39(41(57)65-12-4)53-45(59)51(62)43-49(20-23-56-21-15-19-48(11-3,42(49)56)44(51)58)34-24-35(38(63-7)25-37(34)54(43)6)50(46(60)64-8)27-31-26-47(61,10-2)29-55(28-31)22-18-33-32-16-13-14-17-36(32)52-40(33)50/h13-17,19,24-25,30-31,39,42-44,52,58,61-62H,9-12,18,20-23,26-29H2,1-8H3,(H,53,59)