[(2S,3S,5S)-5-amino-1,6-diphenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-3-yl] (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate
[(2S,3S,5S)-5-amino-1,6-diphenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-3-yl] (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate · CAS 959315-21-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2S,3S,5S)-5-amino-1,6-diphenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-3-yl] (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate
- CAS
- 959315-21-0
- CID
- 498262
- IUPAC 名称
- [(2S,3S,5S)-5-amino-1,6-diphenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-3-yl] (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2S,3S,5S)-5-amino-1,6-diphenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-3-yl] (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate
- CAS
- 959315-21-0
- CID
- 498262
- IUPAC 名称
- [(2S,3S,5S)-5-amino-1,6-diphenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-3-yl] (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate
分子属性
- 分子式
- C37H48N6O5S2
- 分子量
- 720.9 g/mol
- 精确质量
- 720.312761 Da
- 单同位素质量
- 720.312761 Da
- XLogP
- 6.4
- 极性表面积
- 205 Ų
- 氢键供体
- 3
- 氢键受体
- 10
- 可旋转键
- 19
- 重原子数
- 50
- 净电荷
- 0
- 结构复杂度
- 1040
结构标识
- InChIKey
- WDHQCUZKKFEVBI-XGKFQTDJSA-N
- SMILES
- CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H](C[C@H](CC2=CC=CC=C2)N)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4
- InChI
- InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(45)43(5)20-29-22-49-34(40-29)25(3)4)35(44)48-32(18-28(38)16-26-12-8-6-9-13-26)31(17-27-14-10-7-11-15-27)41-37(46)47-21-30-19-39-23-50-30/h6-15,19,22-25,28,31-33H,16-18,20-21,38H2,1-5H3,(H,41,46)(H,42,45)/t28-,31-,32-,33-/m0/s1