| SpectraBase Spectrum ID |
1sGTRWKLHCD |
| Name |
5-{[4-(4-Tert-butylphenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-5-oxopentanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.176644207 u |
| Formula |
C23H29NO5S |
| InChI |
InChI=1S/C23H29NO5S/c1-6-29-22(28)20-19(15-10-12-16(13-11-15)23(3,4)5)14(2)30-21(20)24-17(25)8-7-9-18(26)27/h10-13H,6-9H2,1-5H3,(H,24,25)(H,26,27) |
| InChIKey |
XTFHJPDCKRSUQO-UHFFFAOYSA-N |
| Molecular Weight |
431.547 g/mol |
| SMILES |
N(C1=C(C(C2=CC=C(C(C)(C)C)C=C2)=C(S1)C)C(=O)OCC)C(CCCC(=O)O)=O |
![5-{[4-(4-Tert-butylphenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-5-oxopentanoic acid](/api/spectrum/1sGTRWKLHCD/structure.png?h=300&w=458 "5-{[4-(4-Tert-butylphenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-5-oxopentanoic acid")
