| SpectraBase Spectrum ID |
BjATQw8LvKX |
| Name |
L-Leucine, N-(N-acetyl-4-(bis(2-chloroethyl)amino)-dl-phenylalanyl)-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
487.200462015 u |
| Formula |
C23H35Cl2N3O4 |
| InChI |
InChI=1S/C23H35Cl2N3O4/c1-5-32-23(31)21(14-16(2)3)27-22(30)20(26-17(4)29)15-18-6-8-19(9-7-18)28(12-10-24)13-11-25/h6-9,16,20-21H,5,10-15H2,1-4H3,(H,26,29)(H,27,30) |
| InChIKey |
GBPZYMBDOBODNK-UHFFFAOYSA-N |
| Molecular Weight |
488.456 g/mol |
| SMILES |
C1=C(C=CC(=C1)N(CCCl)CCCl)CC(C(NC(C(OCC)=O)CC(C)C)=O)NC(C)=O |
