N-叔丁氧羰基-L-天冬氨酸 4-叔丁酯二环己胺盐 | 1913-12-8
N-叔丁氧羰基-L-天冬氨酸 4-叔丁酯二环己胺盐
N-Boc-L-Aspartic Acid 4-tert-Butyl Ester Dicyclohexylammonium Salt
1913-12-8
C25H46N2O6
470.6425
名称和标识符
MDL |
MFCD00038889 |
InChIKey |
OMYRDWOMNDCKEJ-QRPNPIFTSA-N |
Inchi |
1S/C13H23NO6.C12H23N/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,14,18)(H,16,17);11-13H,1-10H2/t8-;/m0./s1 |
SMILES |
O(C(C([H])([H])[C@@]([H])(C(=O)O[H])N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H].N([H])(C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H] |
别名信息
- 中文别名 -
- N-叔丁氧羰基-L-天冬氨酸 4-叔丁酯二环己胺盐
- N-Boc-L-天冬氨酸 4-叔-丁酯 二环己基铵盐
- 英文别名 -
- 4-tert-Butyl N-[(tert-butoxy)carbonyl]-L-aspartate dicyclohexylamine salt
- Boc-L-Asp(OtBu)-OH dicyclohexylamine salt (1:1)
- Boc-Asp(OtBu)-OH DCHA
- Boc-Asp(OtBu)-OH.DCHA
- Boc-Asp(OtBu)-OH·DCHA
- BOC-L-ASP(OTBU)-OH
- Boc-L-Asp(tBu)-OH*DCHA
- N-Boc-L-aspartic acid 4-tert-butyl ester dicyclohexylammonium salt
- 4-tert-butyl hydrogen N-[(tert-butoxy)carbonyl]-L-aspartate
- Boc-Asp(O-t-Bu)-OH dicyclohexylamine salt
- BOC-ASP(OTBU)-OHCHA
- Boc-L-Asp(OtBu)-OH (dicyclohexylammonium) salt
- BOC-L-ASP(OTBU)-OH DCHA
- BOC-L-ASP(TBU)-OH DCHA
- BOC-L-ASPARTIC ACID-B-T-BUT
- compound with dicyclohexylamine (1:1)
- Einecs 217-626-7
- N-T-BOC-L-ASPARTICACIDB-T-BUTYLESTEROICYCLOHE
- N-alpha-t-Butyloxycarbonyl-L-aspartic acid beta-t-butyl ester dicyclohexylamine
- Boc-d-asp(otbu)-oh.dcha
- Boc-Asp(OtBu)-OH inverted exclamation mark currencyDCHA
- C13H23NO6.C12H23N
- Boc-Asp(OtBu)-OH dicyclohex
- boc-l-asp(otbu)-oh (dicyclohexylammonium) salt
- DS-18100
- EINECS 217-626-7
- N-alpha-t-Butyloxycarbonyl-L-aspartic acid beta-t-butylester dicyclohexylamine (Boc-L-Asp(OtBu)-OH.DCHA)
- HY-W010819
- (s)-4-(tert-butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoate dicyclohexylamine
- AKOS016843140
- N-cyclohexylcyclohexanamine
- (2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
- MFCD00038889
- 4-
- CS-W011535
- SCHEMBL3311032
- dicyclohexylamine (S)-4-tert-butoxy-2-(tert-butoxycarbonylamino)-4-oxobutanoate
- 4-tert-butyl n-((tert-butoxy)carbonyl)-l-aspartate dicyclohexylamine
- -Butyl N-[(tert-butoxy)carbonyl]-L-aspartate dicyclohexylamine salt
- NS00046195
- 4-tert-Butyl hydrogen N-((tert-butoxy)carbonyl)-L-aspartate, compound with dicyclohexylamine (1:1)
- N-t-Boc-L-aspartic acid b-t-butyl ester dicyclohe
- Boc-Asp(OtBu)-OH dicyclohexylammonium salt
- tert
- 1913-12-8
物化性质
实验特性
LogP |
5.71930 |
PSA |
113.96000 |
沸点 |
607.7 °C at 760 mmHg |
闪点 |
321.3 °C |
颜色与性状 |
白色粉末 |
计算特性
精确分子量 |
470.33600 |
氢键供体数量 |
3 |
氢键受体数量 |
7 |
可旋转化学键数量 |
10 |
同位素质量 |
257.098668 |
重原子数量 |
33 |
复杂度 |
493 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
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 |
拓扑分子极性表面积 |
114 |