(S)-N-叔丁氧羰基-3-氨基-4-(4-甲基苯基)丁酸 | 270062-96-9
(S)-N-叔丁氧羰基-3-氨基-4-(4-甲基苯基)丁酸
Boc-(S)-3-amino-4-(4-methylphenyl)-butyric Acid
270062-96-9
C16H23NO4
293.3581
名称和标识符
MDL |
MFCD01861026 |
InChIKey |
KAHQBNUMNOJEPZ-ZDUSSCGKSA-N |
Inchi |
1S/C16H23NO4/c1-11-5-7-12(8-6-11)9-13(10-14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1 |
SMILES |
O(C(N([H])[C@]([H])(C([H])([H])C(=O)O[H])C([H])([H])C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] |
别名信息
- 中文别名 -
- (S)-N-叔丁氧羰基-3-氨基-4-(4-甲基苯基)丁酸
- Boc-(s)-3-氨基-4-(4-甲基苯基)丁酸
- N-乙基烟酰胺
- BOC-4-甲基-L-Β-高苯丙氨酸
- BOC-L-Β-3-氨基-4-(4-甲基苯基)-丁酸
- 英文别名 -
- Boc-(S)-3-Amino-4-(4-methylphenyl)butyric acid
- (S)-N-(tert-Butoxycarbonyl)-3-amino-4-(4-methylphenyl)butyric acid
- Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, (βS)-
- BOC-(S)-3-AMINO-4-(4-METHYL-PHENYL)-BUTYRIC ACID
- Boc-(S)-3-Amino-4-(4-methylphenyl)-butyric acid
- Boc-β-HoPhe(4-Me)-OH
- BOC-(S)-3-AMINO-4-(4-METHYLPHENYL)BUTANOIC ACID
- Boc-b-HoPhe(4-Me)-OH
- BOC-PHE(4-ME)-(C*CH2)OH
- RARECHEM AK PT B055
- (S)-4-Methyl-b-(Boc-amino)benzenebutanoic acid
- (S)-3-((tert-butoxycarbonyl)amino)-4-(p-tolyl)butanoic acid
- (S)-Boc-4-methyl-beta-Homophe-OH
- (S)-3-(tert-butoxycarbonylamino)-4-p-tolylbutanoic acid
- (3S)-4-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid
- Boc-?-Homophe(4-Me)-OH
- Boc-Phe(4-Me)-(C#CH2)OH
- (3S)-3-(tert-butoxycarbonylamino)-4-(p-tolyl)butanoic acid
- Boc-(S)-3-amino-4-(4-methylphenyl)-butyric acid
- CS-W012172
- (3S)-3-[(tert-Butoxycarbonyl)amino]-4-(4-methylphenyl)butanoic acid
- (S)-3-((tert-butoxycarbonyl)amino)-4-(p-tolyl)butanoicacid
- AKOS015948902
- (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-methylphenyl)butanoic acid
- Boc-4-methyl-L-beta-homophenylalanine
- SCHEMBL1519889
- PS-12263
- 270062-96-9
- EN300-12450381
- AC-22236
- (betaS)-beta-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-methylbenzenebutanoic acid
- MFCD01861026
- Boc-(S)-3-Amino-4-(4-methyl-phenyl)-butyric acid
- DTXSID901147010
- boc-(s)-3-amino-4-(4-methylphenyl)butanoic acid
- (S)-Boc-4-methyl-beta-Homophe-OH, >=97.0% (HPLC)
- FD10093
物化性质
实验特性
LogP |
3.29640 |
PSA |
75.63000 |
计算特性
精确分子量 |
293.16300 |
氢键供体数量 |
2 |
氢键受体数量 |
4 |
可旋转化学键数量 |
7 |
同位素质量 |
293.16270821g/mol |
重原子数量 |
21 |
复杂度 |
354 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
1 |
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) |
2.8 |
拓扑分子极性表面积 |
75.6 |