| SpectraBase Spectrum ID |
7f8GAYNermm |
| Name |
2-(E)-Pentenoic acid, (4S)-4-[(T-butoxycarbonyl-(S)-phenylalanyl)amino]-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.215472069 u |
| Formula |
C21H30N2O5 |
| InChI |
InChI=1S/C21H30N2O5/c1-6-27-18(24)13-12-15(2)22-19(25)17(14-16-10-8-7-9-11-16)23-20(26)28-21(3,4)5/h7-13,15,17H,6,14H2,1-5H3,(H,22,25)(H,23,26)/b13-12+ |
| InChIKey |
SGEZFWMRPVJJMW-OUKQBFOZSA-N |
| Molecular Weight |
390.480 g/mol |
| SMILES |
C(=O)([C@](CC1=CC=CC=C1)(NC(OC(C)(C)C)=O)[H])N[C@@](C)(\C=C\C(OCC)=O)[H] |
![2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-, ethyl ester](/api/spectrum/7f8GAYNermm/structure.png?h=300&w=458 "2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-, ethyl ester")
