快利佳
Kaletra · CAS 369372-47-4
- 中文名
- 快利佳
- 中文别名
- 暂无
- 英文名
- Kaletra
- CAS
- 369372-47-4
- CID
- 11979606
- IUPAC 名称
- (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide;1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
名称与编号
- 中文名
- 快利佳
- 中文别名
- 暂无
- 英文名
- Kaletra
- CAS
- 369372-47-4
- CID
- 11979606
- IUPAC 名称
- (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide;1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
分子属性
- 分子式
- C74H96N10O10S2
- 分子量
- 1349.7 g/mol
- 精确质量
- 1348.67523164 Da
- 单同位素质量
- 1348.67523164 Da
- XLogP
- 暂无
- 极性表面积
- 322 Ų
- 氢键供体
- 8
- 氢键受体
- 14
- 可旋转键
- 33
- 重原子数
- 96
- 净电荷
- 0
- 结构复杂度
- 1980
结构标识
- InChIKey
- OFFWOVJBSQMVPI-RMLGOCCBSA-N
- SMILES
- CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O.CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
- InChI
- InChI=1S/C37H48N6O5S2.C37H48N4O5/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30;1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46);5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t28-,31-,32-,33-;30-,31-,32-,34-/m00/s1