| SpectraBase Spectrum ID |
CAclvxegOyE |
| Name |
.beta.-ala-.beta.-ala, N,N'-Dibenzyl-2,2'-dimethyl-N-(ethoxycarbonyl)-, methyl ester (isomer 1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.246772198 u |
| Formula |
C26H34N2O5 |
| InChI |
InChI=1S/C26H34N2O5/c1-5-33-26(31)28(19-23-14-10-7-11-15-23)16-20(2)24(29)27(17-21(3)25(30)32-4)18-22-12-8-6-9-13-22/h6-15,20-21H,5,16-19H2,1-4H3 |
| InChIKey |
QMPLCESOOFCFBV-UHFFFAOYSA-N |
| Molecular Weight |
454.567 g/mol |
| SMILES |
C1=CC=C(C=C1)CN(CC(C(N(CC1=CC=CC=C1)CC(C(OC)=O)C)=O)C)C(OCC)=O |
