| SpectraBase Spectrum ID |
6GpSG01RCuh |
| Name |
5-[(3as,4S,6ar)-2-Keto-1,3,3A,4,6,6A-hexahydrothien[3,4-D]imidazol-4-yl]valeric acid octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.213364069 u |
| Formula |
C18H32N2O3S |
| InChI |
InChI=1S/C18H32N2O3S/c1-2-3-4-5-6-9-12-23-16(21)11-8-7-10-15-17-14(13-24-15)19-18(22)20-17/h14-15,17H,2-13H2,1H3,(H2,19,20,22)/t14-,15-,17-/m0/s1 |
| InChIKey |
AGTLBMMDWXIXPW-ZOBUZTSGSA-N |
| Molecular Weight |
356.525 g/mol |
| SMILES |
C1(N[C@@]2([C@](CCCCC(=O)OCCCCCCCC)(SC[C@@]2(N1)[H])[H])[H])=O |
![5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]valeric acid octyl ester](/api/spectrum/6GpSG01RCuh/structure.png?h=300&w=458 "5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]valeric acid octyl ester")
