Calcium bis{(3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-5-hydroxy-3-methoxyheptanoate}
Calcium bis{(3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-5-hydroxy-3-methoxyheptanoate} · CAS 887196-29-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Calcium bis{(3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-5-hydroxy-3-methoxyheptanoate}
- CAS
- 887196-29-4
- CID
- 71750198
- IUPAC 名称
- calcium bis((3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-methoxyheptanoate)
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Calcium bis{(3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-5-hydroxy-3-methoxyheptanoate}
- CAS
- 887196-29-4
- CID
- 71750198
- IUPAC 名称
- calcium bis((3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-methoxyheptanoate)
分子属性
- 分子式
- C68H72CaF2N4O10
- 分子量
- 1183.4 g/mol
- 精确质量
- 1182.4842417 Da
- 单同位素质量
- 1182.4842417 Da
- XLogP
- 暂无
- 极性表面积
- 207 Ų
- 氢键供体
- 4
- 氢键受体
- 12
- 可旋转键
- 24
- 重原子数
- 85
- 净电荷
- 0
- 结构复杂度
- 832
结构标识
- InChIKey
- WSJYEDNFTDTVCI-KYDAQBLCSA-L
- SMILES
- CC(C)C1=C(C(=C(N1CC[C@H](C[C@@H](CC(=O)[O-])OC)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@@H](CC(=O)[O-])OC)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]
- InChI
- InChI=1S/2C34H37FN2O5.Ca/c2*1-22(2)32-31(34(41)36-26-12-8-5-9-13-26)30(23-10-6-4-7-11-23)33(24-14-16-25(35)17-15-24)37(32)19-18-27(38)20-28(42-3)21-29(39)40;/h2*4-17,22,27-28,38H,18-21H2,1-3H3,(H,36,41)(H,39,40);/q;;+2/p-2/t2*27-,28+;/m11./s1