SpectraBase Spectrum ID |
Gy5nQsIe7Ud |
Name |
Histidine, N-acetyl-2-[[4-methoxycarbonyl]phenylazo]-, methyl(ester) |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
373.138618727 u |
Formula |
C17H19N5O5 |
InChI |
InChI=1S/C17H19N5O5/c1-10(23)19-14(16(25)27-3)8-13-9-18-17(20-13)22-21-12-6-4-11(5-7-12)15(24)26-2/h4-7,9,14H,8H2,1-3H3,(H,18,20)(H,19,23)/b22-21+ |
InChIKey |
HPJZHERYAKXLMU-QURGRASLSA-N |
Molecular Weight |
373.369 g/mol |
SMILES |
C1(=NC=C(N1)CC(NC(C)=O)C(OC)=O)\N=N\C1=CC=C(C=C1)C(OC)=O |