| SpectraBase Spectrum ID |
E6eTD2ULfuJ |
| Name |
4-(2-((5-(2-((4-Carboxyphenyl)amino)-2-oxoethyl)-4-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)thio)acetamido)benzoic acid |
| Appearance |
Beige crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H20N6O7S |
| InChI |
InChI=1S/C27H20N6O7S/c34-21(28-17-9-5-15(6-10-17)25(37)38)13-32-19-3-1-2-4-20(19)33-23(24(32)36)30-31-27(33)41-14-22(35)29-18-11-7-16(8-12-18)26(39)40/h1-12H,13-14H2,(H,28,34)(H,29,35)(H,37,38)(H,39,40) |
| InChIKey |
OCUIXKZECCYQIF-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP-1000EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ardp.201900123 |
| Molecular Weight |
572.552 g/mol |
| SMILES |
N(c1ccc(C(=O)O)cc1)C(CSc1nnc2[n]1-c1ccccc1N(CC(=O)Nc1ccc(C(=O)O)cc1)C2=O)=O |
| SPLASH |
splash10-0uxr-9565280000-2f6098cd26f23e73c154 |
| Source of Spectrum |
APC-352-SM86-27 |
| Wiley ID |
1838347 |
![4-(2-((5-(2-((4-Carboxyphenyl)amino)-2-oxoethyl)-4-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)thio)acetamido)benzoic acid](/api/spectrum/E6eTD2ULfuJ/structure.png?h=300&w=458 "4-(2-((5-(2-((4-Carboxyphenyl)amino)-2-oxoethyl)-4-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)thio)acetamido)benzoic acid")
