| SpectraBase Spectrum ID |
1Ts0UsMHGX8 |
| Name |
5-[(3ar,6S,6as)-2-oxo-3-(Phenylmethyl)-3A,4,6,6A-tetrahydro-1H-thieno[3,4-D]imidazol-6-yl]pentanoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.150763812 u |
| Formula |
C18H24N2O3S |
| InChI |
InChI=1S/C18H24N2O3S/c1-23-16(21)10-6-5-9-15-17-14(12-24-15)20(18(22)19-17)11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3,(H,19,22)/t14-,15-,17-/m0/s1 |
| InChIKey |
FVMNCONPIAKJNV-ZOBUZTSGSA-N |
| Molecular Weight |
348.461 g/mol |
| SMILES |
C1(N([C@@]2([C@](N1)([C@@](SC2)(CCCCC(=O)OC)[H])[H])[H])CC1=CC=CC=C1)=O |
![5-[(3aR,6S,6aS)-2-oxo-3-(phenylmethyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid methyl ester](/api/spectrum/1Ts0UsMHGX8/structure.png?h=300&w=458 "5-[(3aR,6S,6aS)-2-oxo-3-(phenylmethyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid methyl ester")
