| SpectraBase Spectrum ID |
70t8rml0d0j |
| Name |
Methyl 3-[N-((S)-benzyloxycarbonylprolyl-N-phenyl]amino-2,2-dimethyl-(S)-3-phenylpropionate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.246772198 u |
| Formula |
C31H34N2O5 |
| InChI |
InChI=1S/C31H34N2O5/c1-31(2,29(35)37-3)27(24-16-9-5-10-17-24)33(25-18-11-6-12-19-25)28(34)26-20-13-21-32(26)30(36)38-22-23-14-7-4-8-15-23/h4-12,14-19,26-27H,13,20-22H2,1-3H3/t26-,27-/m0/s1 |
| InChIKey |
WMKFFMHCRYACGK-SVBPBHIXSA-N |
| Molecular Weight |
514.622 g/mol |
| SMILES |
C(N([C@](C(C(=O)OC)(C)C)(C1=CC=CC=C1)[H])C=1C=CC=CC1)([C@]1(N(C(OCC2=CC=CC=C2)=O)CCC1)[H])=O |
![Methyl 3-[N-((S)-benzyloxycarbonylprolyl-N-phenyl]amino-2,2-dimethyl-(S)-3-phenylpropionate](/api/spectrum/70t8rml0d0j/structure.png?h=300&w=458 "Methyl 3-[N-((S)-benzyloxycarbonylprolyl-N-phenyl]amino-2,2-dimethyl-(S)-3-phenylpropionate")
