蛋白激酶C 抑制剂KT5823
Methyl (9S,10R,12R)-2,3,9,10,11,12-hexahydro-10-methoxy-2,9-dimethyl-1-oxo-9,12-epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylate · CAS 126643-37-6
- 中文名
- 蛋白激酶C 抑制剂KT5823
- 中文别名
- 暂无
- 英文名
- Methyl (9S,10R,12R)-2,3,9,10,11,12-hexahydro-10-methoxy-2,9-dimethyl-1-oxo-9,12-epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylate
- CAS
- 126643-37-6
- CID
- 108152
- IUPAC 名称
- methyl (15S,16R,18R)-16-methoxy-4,15-dimethyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
名称与编号
- 中文名
- 蛋白激酶C 抑制剂KT5823
- 中文别名
- 暂无
- 英文名
- Methyl (9S,10R,12R)-2,3,9,10,11,12-hexahydro-10-methoxy-2,9-dimethyl-1-oxo-9,12-epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylate
- CAS
- 126643-37-6
- CID
- 108152
- IUPAC 名称
- methyl (15S,16R,18R)-16-methoxy-4,15-dimethyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
分子属性
- 分子式
- C29H25N3O5
- 分子量
- 495.5 g/mol
- 精确质量
- 495.17942091 Da
- 单同位素质量
- 495.17942091 Da
- XLogP
- 3.5
- 极性表面积
- 74.9 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 3
- 重原子数
- 37
- 净电荷
- 0
- 结构复杂度
- 1020
结构标识
- InChIKey
- QTYMDECKVKSGSM-YMUMJAELSA-N
- SMILES
- C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CN(C6=O)C)(C(=O)OC)OC
- InChI
- InChI=1S/C29H25N3O5/c1-28-29(36-4,27(34)35-3)13-20(37-28)31-18-11-7-5-9-15(18)22-23-17(14-30(2)26(23)33)21-16-10-6-8-12-19(16)32(28)25(21)24(22)31/h5-12,20H,13-14H2,1-4H3/t20-,28+,29+/m1/s1