(2S,3S,5S)-5-氨基-2-(N-((5-噻唑基)-甲氧羰基)氨基)-1,6-二苯基-3-羟基己烷 | 144164-11-4
(2S,3S,5S)-5-氨基-2-(N-((5-噻唑基)-甲氧羰基)氨基)-1,6-二苯基-3-羟基己烷
2S,3S,5S-5-Amino-2-N-(5-thiozolyl)methoxycarbonylamino-1,6-diphenyl-3-hydroxyhexane
144164-11-4
C23H27N3O3S
425.5438
名称和标识符
MDL |
MFCD07367634 |
InChIKey |
HBPTXDXGWDVDON-BVSLBCMMSA-N |
Inchi |
1S/C23H27N3O3S/c24-19(11-17-7-3-1-4-8-17)13-22(27)21(12-18-9-5-2-6-10-18)26-23(28)29-15-20-14-25-16-30-20/h1-10,14,16,19,21-22,27H,11-13,15,24H2,(H,26,28)/t19-,21-,22-/m0/s1 |
SMILES |
S1C([H])=NC([H])=C1C([H])([H])OC(N([H])[C@@]([H])(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])[C@]([H])(C([H])([H])[C@]([H])(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])[H])O[H])=O |
别名信息
- 中文别名 -
- (2S,3S,5S)-5-氨基-2-(N-((5-噻唑基)-甲氧羰基)氨基)-1,6-二苯基-3-羟基己烷
- (2S,3S,5S)-5-氨基-2-(N-((5-噻唑基)-甲氧基羰基)氨基)-1,6-二苯基-3-羟基己烷
- 2S,3S,5S-5-氨基-2-[N-[[(5-噻唑基)甲氧基]羰基]氨基]-1,6-二苯基-3-羟基己烷
- 英文别名 -
- Thiazol-5-ylmethyl ((2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl)carbamate
- (2S,3S,5S)-5-Amino-2-(N-((5-thiazolyl)-methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
- 2S,3S,5S-5-Amino-2-[N-[[(5-thiozolyl)methoxy]carbonyl]amino]-1,6-diphenyl-3-hydroxyhexane
- Carbamicacid, [(1S,2S,4S)-4-amino-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-,5-thiazolylmethyl ester (9CI)
- Carbamic acid,[4-amino-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester,[1S-(1R*,2R*,4R*)]-
- 1,3-Thiazol-5-ylmethylN-[(1S,2S,4S)-4-amino-1-benzyl-2-hydroxy-5-phenylpentyl]carbamate
- (2S,3S,5S)-5-amino-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
- HBPTXDXGWDVDON-BVSLBCMMSA-N
- BCP22733
- Carbamic acid,N-[(1S,2S,4S)-4-amino-2-
- C72725
- (2S,3S,5S)-5-AMINO-2-(N-((5-THIAZOLYL)-METHOXYCARBONYL)AMINO)-1,6-DIPHENYL-3-HYDROXYHEXANE
- AKOS015896455
- (2S,3S,5S)-5-amino-2-(N-((5-thiazolyl)-methoxycarbonyl)amino )-1,6-diphenyl-3- hydroxyhexane
- (2S,3S,5S)-5-amino-2-(N-((5-thiazolyl) methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
- J-524904
- 144164-11-4
- Thiazol-5-ylmethyl((2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl)carbamate
- (2S,3S,5S )-5-amino-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
- DTXSID10455244
- (2S,3S,5S)-5-amino-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6diphenyl-3-hydroxyhexane
- 1,3-THIAZOL-5-YLMETHYL N-[(2S,3S,5S)-5-AMINO-3-HYDROXY-1,6-DIPHENYLHEXAN-2-YL]CARBAMATE
- J-007926
- CS-0149754
- SCHEMBL893198
- 1,3-thiazol-5-ylmethyl(1s,2s,4s)-4-amino-1-benzyl-2-hydroxy-5-phenylpentylcarbamate
- DS-18504
- (2S,3S,5S)-5-amino-2-(N-((5-thiazolyl)methoxycarbonyl)amino)- 1,6-diphenyl-3-hydroxyhexane
- AC-8900
- 1,3-thiazol-5-ylmethyl (1S,2S,4S)-4-amino-1-benzyl-2-hydroxy-5-phenylpentylcarbamate
- Carbamic acid, N-[(1S,2S,4S)-4-amino-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester
- (2S,3S,5S)-5-Amino-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1.6-diphenyl-3-hydroxyhexane
- (2 S,3S,5S)-5-amino-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
- C23H27N3O3S
- A808185
- MFCD07367634
- (1,3-Thiazol-5-yl)methyl [(2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
- Thiazol-5-ylmethyl [(1S,2S,4S)-4-Amino-1-benzyl-2-hydroxy-5-phenylpentyl]carbamate
物化性质
实验特性
LogP |
4.39280 |
PSA |
125.71000 |
折射率 |
1.619 |
沸点 |
656.1°C at 760 mmHg |
闪点 |
350.6°C |
颜色与性状 |
淡 黄色油状 |
密度 |
1.251 |
计算特性
精确分子量 |
425.17700 |
氢键供体数量 |
3 |
氢键受体数量 |
6 |
可旋转化学键数量 |
11 |
同位素质量 |
425.17731291g/mol |
重原子数量 |
30 |
复杂度 |
498 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
3 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
3.3 |
拓扑分子极性表面积 |
126 |
(2S,3S,5S)-5-氨基-2-(N-((5-噻唑基)-甲氧羰基)氨基)-1,6-二苯基-3-羟基己烷推荐生产厂家
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