| SpectraBase Spectrum ID |
3WbeRrNDVJa |
| Name |
L-Aspartic acid, N-[(2,4,5-trichlorophenoxy)acetyl]-, 1-methyl ester |
| CAS Registry Number |
66789-93-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12Cl3NO6 |
| InChI |
InChI=1S/C13H12Cl3NO6/c1-22-13(21)9(4-12(19)20)17-11(18)5-23-10-3-7(15)6(14)2-8(10)16/h2-3,9H,4-5H2,1H3,(H,17,18)(H,19,20)/t9-/m0/s1 |
| InChIKey |
NMMLRFYICHCTAU-VIFPVBQESA-N |
| Molecular Weight |
384.599 g/mol |
| SMILES |
N([C@@](CC(=O)O)(C(=O)OC)[H])C(=O)COc1cc(Cl)c(cc1Cl)Cl |
| SPLASH |
splash10-03di-3916000000-841d921c61c04660704f |
| Source of Spectrum |
W5-32714-0-0 |
| Synonyms |
(3S)-4-methoxy-4-oxo-3-{[(2,4,5-trichlorophenoxy)acetyl]amino}butanoic acid |
| Wiley ID |
1360956 |
![L-Aspartic acid, N-[(2,4,5-trichlorophenoxy)acetyl]-, 1-methyl ester](/api/spectrum/3WbeRrNDVJa/structure.png?h=300&w=458 "L-Aspartic acid, N-[(2,4,5-trichlorophenoxy)acetyl]-, 1-methyl ester")
