| SpectraBase Spectrum ID |
ITmNWo1w4E8 |
| Name |
2-[4-[(2S)-2-amino-2-carboxy-ethyl]imidazol-1-yl]-4-ethoxy-4-oxo-butanoic acid |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17N3O6 |
| InChI |
InChI=1S/C12H17N3O6/c1-2-21-10(16)4-9(12(19)20)15-5-7(14-6-15)3-8(13)11(17)18/h5-6,8-9H,2-4,13H2,1H3,(H,17,18)(H,19,20)/t8-,9?/m0/s1 |
| InChIKey |
JUOGBYSNNQBCMI-IENPIDJESA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0005.404 |
| Molecular Weight |
299.283 g/mol |
| Optical Rotation |
[a]D20 = -7.6 (c = 1, MeOH) |
| SMILES |
OC(C([n]1cnc(C[C@@](C(=O)O)(N)[H])c1)CC(=O)OCC)=O |
| SPLASH |
splash10-002b-9200000000-a64647a977aa2717882c |
| Sample Comments |
dr = 1:1 |
| Source of Spectrum |
ARK-2004-30-4 |
| Wiley ID |
1875962 |
![2-[4-[(2S)-2-amino-2-carboxy-ethyl]imidazol-1-yl]-4-ethoxy-4-oxo-butanoic acid](/api/spectrum/ITmNWo1w4E8/structure.png?h=300&w=458 "2-[4-[(2S)-2-amino-2-carboxy-ethyl]imidazol-1-yl]-4-ethoxy-4-oxo-butanoic acid")
