| SpectraBase Spectrum ID |
1MW02BNaZnn |
| Name |
Methyl ester of [R-(R*,S*)]-.alpha.-hydroxy-.beta.-[(2-methyl-1-oxo-2-butenyl)amino]benzenepropanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.131408092 u |
| Formula |
C15H19NO4 |
| InChI |
InChI=1S/C15H19NO4/c1-4-10(2)14(18)16-12(13(17)15(19)20-3)11-8-6-5-7-9-11/h4-9,12-13,17H,1-3H3,(H,16,18)/b10-4-/t12-,13+/m0/s1 |
| InChIKey |
LVUWCAIZMNSXAD-LKMNKNEDSA-N |
| SMILES |
[C@](NC(\C(=C/C)C)=O)([C@](C(=O)OC)(O)[H])(C1=CC=CC=C1)[H] |
![Methyl ester of [R-(R*,S*)]-.alpha.-hydroxy-.beta.-[(2-methyl-1-oxo-2-butenyl)amino]benzenepropanoic acid](/api/spectrum/1MW02BNaZnn/structure.png?h=300&w=458 "Methyl ester of [R-(R*,S*)]-.alpha.-hydroxy-.beta.-[(2-methyl-1-oxo-2-butenyl)amino]benzenepropanoic acid")
