| SpectraBase Spectrum ID |
CCDe1S2DRdA |
| Name |
(+,-)-N-[(3-hydroxy-4-methoxyphenyl)acetyl]-3-methoxytyrosine methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.147452078 u |
| Formula |
C20H23NO7 |
| InChI |
InChI=1S/C20H23NO7/c1-26-17-7-5-13(9-16(17)23)11-19(24)21-14(20(25)28-3)8-12-4-6-15(22)18(10-12)27-2/h4-7,9-10,14,22-23H,8,11H2,1-3H3,(H,21,24)/t14-/m0/s1 |
| InChIKey |
AYQAJZMNDRKAIC-AWEZNQCLSA-N |
| Molecular Weight |
389.404 g/mol |
| SMILES |
C(N[C@](C(=O)OC)(CC1=CC(OC)=C(C=C1)O)[H])(=O)CC=1C=C(O)C(=CC1)OC |
![(+,-)-N-[(3-hydroxy-4-methoxyphenyl)acetyl]-3-methoxytyrosine methyl ester](/api/spectrum/CCDe1S2DRdA/structure.png?h=300&w=458 "(+,-)-N-[(3-hydroxy-4-methoxyphenyl)acetyl]-3-methoxytyrosine methyl ester")
