| SpectraBase Spectrum ID |
7zdTYXKEs8E |
| Name |
N(.alpha.)-Benzoyl-N(.tal.(3-formyl-1-methoxymethylindol-2-yl)histidine methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.174669884 u |
| Formula |
C25H24N4O5 |
| InChI |
InChI=1S/C25H24N4O5/c1-33-16-29-22-11-7-6-10-19(22)20(14-30)24(29)28-13-18(26-15-28)12-21(25(32)34-2)27-23(31)17-8-4-3-5-9-17/h3-11,13-15,21H,12,16H2,1-2H3,(H,27,31) |
| InChIKey |
SFHOHISCTCWJBM-UHFFFAOYSA-N |
| Molecular Weight |
460.490 g/mol |
| SMILES |
C=1(N(C2=CC=CC=C2C1C=O)COC)N1C=NC(=C1)CC(NC(=O)C1=CC=CC=C1)C(=O)OC |
