| SpectraBase Spectrum ID |
K78RTnSpswq |
| Name |
Methyl 2,2-dimethyl-(S)-3-[N-(4'-methoxyphenyl)-N-((S)-tert-leucyl)]amino-3-phenylpropionate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.251857579 u |
| Formula |
C25H34N2O4 |
| InChI |
InChI=1S/C25H34N2O4/c1-24(2,3)20(26)22(28)27(18-13-15-19(30-6)16-14-18)21(17-11-9-8-10-12-17)25(4,5)23(29)31-7/h8-16,20-21H,26H2,1-7H3/t20-,21+/m1/s1 |
| InChIKey |
VMPUXTUBCGZOOK-RTWAWAEBSA-N |
| Molecular Weight |
426.557 g/mol |
| SMILES |
C(N([C@](C(C(=O)OC)(C)C)(C=1C=CC=CC1)[H])C=1C=CC(=CC1)OC)([C@](C(C)(C)C)(N)[H])=O |
![Methyl 2,2-dimethyl-(S)-3-[N-(4'-methoxyphenyl)-N-((S)-tert-leucyl)]amino-3-phenylpropionate](/api/spectrum/K78RTnSpswq/structure.png?h=300&w=458 "Methyl 2,2-dimethyl-(S)-3-[N-(4'-methoxyphenyl)-N-((S)-tert-leucyl)]amino-3-phenylpropionate")
