| SpectraBase Spectrum ID |
CiDIYuwgGMF |
| Name |
2-[(3R,4S)-3-(Benzyloxycarbonylamino)-4-ethyl-2-keto-piperidino]acetic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.215472069 u |
| Formula |
C21H30N2O5 |
| InChI |
InChI=1S/C21H30N2O5/c1-5-16-11-12-23(13-17(24)28-21(2,3)4)19(25)18(16)22-20(26)27-14-15-9-7-6-8-10-15/h6-10,16,18H,5,11-14H2,1-4H3,(H,22,26)/t16-,18+/m0/s1 |
| InChIKey |
ZYIINBBFEJUDJH-FUHWJXTLSA-N |
| Molecular Weight |
390.480 g/mol |
| SMILES |
C1(N(CC(OC(C)(C)C)=O)CC[C@@]([C@]1(NC(=O)OCC=1C=CC=CC1)[H])(CC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901312 |
![2-[(3R,4S)-3-(benzyloxycarbonylamino)-4-ethyl-2-keto-piperidino]acetic acid tert-butyl ester](/api/spectrum/CiDIYuwgGMF/structure.png?h=300&w=458 "2-[(3R,4S)-3-(benzyloxycarbonylamino)-4-ethyl-2-keto-piperidino]acetic acid tert-butyl ester")
