methyl (1R,9R,11S,14E,17S)-14-ethylidene-2-(methoxymethyl)-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
methyl (1R,9R,11S,14E,17S)-14-ethylidene-2-(methoxymethyl)-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate · CAS 1158845-78-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (1R,9R,11S,14E,17S)-14-ethylidene-2-(methoxymethyl)-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
- CAS
- 1158845-78-3
- CID
- 102004419
- IUPAC 名称
- methyl (1R,9R,11S,14E,17S)-14-ethylidene-2-(methoxymethyl)-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (1R,9R,11S,14E,17S)-14-ethylidene-2-(methoxymethyl)-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
- CAS
- 1158845-78-3
- CID
- 102004419
- IUPAC 名称
- methyl (1R,9R,11S,14E,17S)-14-ethylidene-2-(methoxymethyl)-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
分子属性
- 分子式
- C22H26N2O4
- 分子量
- 382.5 g/mol
- 精确质量
- 382.18925731 Da
- 单同位素质量
- 382.18925731 Da
- XLogP
- 2.2
- 极性表面积
- 51.2 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子数
- 28
- 净电荷
- 0
- 结构复杂度
- 740
结构标识
- InChIKey
- FGSDKFHHOWCXOD-FMYXALOKSA-N
- SMILES
- C/C=C\1/CN2[C@H]3CC1C([C@@]45[C@@]3(N(C6=CC=CC=C64)COC)O[C@H]2C5)C(=O)OC
- InChI
- InChI=1S/C22H26N2O4/c1-4-13-11-23-17-9-14(13)19(20(25)27-3)21-10-18(23)28-22(17,21)24(12-26-2)16-8-6-5-7-15(16)21/h4-8,14,17-19H,9-12H2,1-3H3/b13-4-/t14?,17-,18-,19?,21-,22-/m0/s1