| SpectraBase Spectrum ID |
JiLldYEfb8r |
| Name |
Leucine, N-(N-carboxy-L-leucyl)-, N-benzyl p-nitrobenzyl ester, D- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
513.247500472 u |
| Formula |
C27H35N3O7 |
| InChI |
InChI=1S/C27H35N3O7/c1-18(2)14-23(29-27(33)37-17-20-8-6-5-7-9-20)25(31)28-24(15-19(3)4)26(32)36-16-21-10-12-22(13-11-21)30(34)35/h5-13,18-19,23-24H,14-17H2,1-4H3,(H,28,31)(H,29,33) |
| InChIKey |
PIOMVNNMECZJLD-UHFFFAOYSA-N |
| Molecular Weight |
513.591 g/mol |
| SMILES |
CC(CC(C(OCC=1C=CC(N(=O)=O)=CC1)=O)NC(=O)C(CC(C)C)NC(OCC=1C=CC=CC1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850979 |
