| SpectraBase Spectrum ID |
Hkhu6oo29Qd |
| Name |
N-[(5-Chloroindol-3-yl)glyoxyloyl)-3-phenylalanine, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.103334796 u |
| Formula |
C21H19ClN2O4 |
| InChI |
InChI=1S/C21H19ClN2O4/c1-2-28-21(27)18(10-13-6-4-3-5-7-13)24-20(26)19(25)16-12-23-17-9-8-14(22)11-15(16)17/h3-9,11-12,18,23H,2,10H2,1H3,(H,24,26) |
| InChIKey |
AMODXXNNQZEAJV-UHFFFAOYSA-N |
| Molecular Weight |
398.846 g/mol |
| SMILES |
N1C=2C=CC(=CC2C(C(C(NC(C(OCC)=O)CC=2C=CC=CC2)=O)=O)=C1)Cl |
