| SpectraBase Spectrum ID |
6IOgh6BTQvT |
| Name |
4-{[3-(Ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thien-2-yl]amino}-4-oxobutanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.192294271 u |
| Formula |
C21H31NO5S |
| InChI |
InChI=1S/C21H31NO5S/c1-2-27-21(26)19-15-11-9-7-5-3-4-6-8-10-12-16(15)28-20(19)22-17(23)13-14-18(24)25/h2-14H2,1H3,(H,22,23)(H,24,25) |
| InChIKey |
KDOMMGRSVFMUFT-UHFFFAOYSA-N |
| Molecular Weight |
409.541 g/mol |
| SMILES |
N(C1=C(C=2CCCCCCCCCCC2S1)C(=O)OCC)C(CCC(=O)O)=O |
![4-{[3-(Ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thien-2-yl]amino}-4-oxobutanoic acid](/api/spectrum/6IOgh6BTQvT/structure.png?h=300&w=458 "4-{[3-(Ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thien-2-yl]amino}-4-oxobutanoic acid")
