N,N'-二(2,3-二羟基丙基)-5-[(羟基乙酰基)氨基]-2,4,6-三碘-1,3-苯二甲酰胺 | 141636-66-0
N,N'-二(2,3-二羟基丙基)-5-[(羟基乙酰基)氨基]-2,4,6-三碘-1,3-苯二甲酰胺
(S)-FMOC-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
141636-66-0
C21H21NO4S
383.46074
名称和标识符
MDL |
MFCD02682321 |
InChIKey |
AHWBFHCBDIMJQV-SFHVURJKSA-N |
Inchi |
InChI=1S/C21H21NO4S/c1-21(2)18(19(23)24)22(12-27-21)20(25)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-18H,11-12H2,1-2H3,(H,23,24)/t18-/m0/s1 |
SMILES |
CC1(C)[C@H](C(=O)O)N(CS1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C42 |
别名信息
- 中文别名 -
- (S)-Fmoc-5,5-二甲基-1,3-噻唑烷-4-羧酸
- N,N'-二(2,3-二羟基丙基)-5-[(羟基乙酰基)氨基]-2,4,6-三碘-1,3-苯二甲酰胺
- 英文别名 -
- (S)-FMOC-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
- 3,4-Thiazolidinedicarboxylicacid, 5,5-dimethyl-, 3-(9H-fluoren-9-ylmethyl) ester, (S)- (9CI)
- Fmoc-(S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
- FMOC-2-FLUORO-D-PHE
- FMOC-2-FLUORO-D-PHENYLALANINE
- FMOC-D-2-FLUOROPHE
- FMOC-D-2-FLUORO-PHE-OH
- Fmoc-D-5,5-dimethylthiaproline
- FMOC-O-FLUORO-D-PHE-OH
- RARECHEM BK PT 0024
- (S)-3-(((9H-Fluoren-9-yl)methoxy)carbonyl)-5,5-dimethylthiazolidine-4-carboxylic acid
- (S)-3-(((9H-Fluoren-9-yl)methoxy)carbonyl)-5,5-dimethylthiazolidine-4-carboxylicacid
- SCHEMBL1487344
- E70638
- J-007529
- 3,4-Thiazolidinedicarboxylicacid,5,5-dimethyl-,3-(9H-fluoren-9-ylmethyl)ester,(S)-(9ci)
- (4S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
- MFCD02682321
- 3,4-Thiazolidinedicarboxylic acid, 5,5-dimethyl-, 3-(9H-fluoren-9-ylmethyl) ester, (S)- (9CI)
- (S)-Fmoc-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, AldrichCPR
- DTXSID201124851
- 3,4-Thiazolidinedicarboxylic acid, 5,5-dimethyl-, 3-(9H-fluoren-9-ylmethyl) ester, (S)-
- 141636-66-0
- Fmoc-(S)-Dtc-OH
- CS-0006534
物化性质
实验特性
LogP |
4.11150 |
PSA |
92.14000 |
沸点 |
583.6±50.0 °C at 760 mmHg |
蒸气压 |
0.0±1.7 mmHg at 25°C |
闪点 |
306.8±30.1 °C |
密度 |
1.3±0.1 g/cm3 |
计算特性
精确分子量 |
383.11900 |
氢键供体数量 |
1 |
氢键受体数量 |
5 |
可旋转化学键数量 |
5 |
同位素质量 |
383.11912932g/mol |
重原子数量 |
27 |
复杂度 |
573 |
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) |
4 |
拓扑分子极性表面积 |
92.1Ų |