Analyte Name

5-((3aS,4S,6aR)-1-benzyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid and 5-((3aS,4S,6aR)-3-benzyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid

Molecular Formula

2 C17 H22 N2 O3 S

Molecular Weight

668.87

Accurate Mass

668.2702

SMILES

OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2Cc3ccccc3.OC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N(Cc6ccccc6)[C@H]45

InChI

InChI=1S/2C17H22N2O3S/c20-15(21)9-5-4-8-14-16-13(11-23-14)19(17(22)18-16)10-12-6-2-1-3-7-12, 20-15(21)9-5-4-8-14-16-13(11-23-14)18-17(22)19(16)10-12-6-2-1-3-7-12/h2*1-3,6-7,13-14,16H,4-5,8-11H2,(H,18,22)(H,20,21)/t2*13-,14-,16-/m00/s1

IUPAC

5-[(3aS,4S,6aR)-3-benzyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid;5-[(3aR,6S,6aS)-3-benzyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid

Storage Temperature

2-8C Fridge/Coldroom

Country of Origin

CANADA

Product Format

Neat