| SpectraBase Spectrum ID |
6LbcF9ggDST |
| Name |
2,4-Dinitrophenyl-dl-alanyl-L-leucine methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.148849057 u |
| Formula |
C16H22N4O7 |
| InChI |
InChI=1S/C16H22N4O7/c1-9(2)7-13(16(22)27-4)18-15(21)10(3)17-12-6-5-11(19(23)24)8-14(12)20(25)26/h5-6,8-10,13,17H,7H2,1-4H3,(H,18,21) |
| InChIKey |
BWZLPMXSQVIFQS-UHFFFAOYSA-N |
| Molecular Weight |
382.373 g/mol |
| SMILES |
C1(=C(C=C(C=C1)N(=O)=O)N(=O)=O)NC(C(NC(C(OC)=O)CC(C)C)=O)C |
