| SpectraBase Spectrum ID |
Ej19DF4oRxa |
| Name |
5-{[3-(Ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thien-2-yl]amino}-5-oxopentanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.207944336 u |
| Formula |
C22H33NO5S |
| InChI |
InChI=1S/C22H33NO5S/c1-2-28-22(27)20-16-12-9-7-5-3-4-6-8-10-13-17(16)29-21(20)23-18(24)14-11-15-19(25)26/h2-15H2,1H3,(H,23,24)(H,25,26) |
| InChIKey |
JSAOTYACARQDQV-UHFFFAOYSA-N |
| Molecular Weight |
423.568 g/mol |
| SMILES |
N(C1=C(C=2CCCCCCCCCCC2S1)C(=O)OCC)C(CCCC(=O)O)=O |
![5-{[3-(Ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thien-2-yl]amino}-5-oxopentanoic acid](/api/spectrum/Ej19DF4oRxa/structure.png?h=300&w=458 "5-{[3-(Ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thien-2-yl]amino}-5-oxopentanoic acid")
