5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-2,2-bis(phenylmethyl)pentanoic acid; 5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid

Systemtic Name: 5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-2,2-bis(phenylmethyl)pentanoic acid; 5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid Openeye Name: 2,2-dibenzyl-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid; 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid CAS Name: 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-2,2-bis(phenylmethyl)pentanoic acid; 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid IUPAC Name: 2,2-dibenzyl-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid; 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid Traditional Name: 2,2-dibenzyl-5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)valeric acid; 5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)valeric acid Formula: C34H44N4O6S2 MolecularWeight: 668.86636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2.C1C2C(C(S1)CCCC(CC3=CC=CC=C3)(CC4=CC=CC=C4)C(=O)O)NC(=O)N2

Isomeric SMILES

C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2.C1C2C(C(S1)CCCC(CC3=CC=CC=C3)(CC4=CC=CC=C4)C(=O)O)NC(=O)N2

InChI

InChI=1S/C24H28N2O3S.C10H16N2O3S/c27-22(28)24(14-17-8-3-1-4-9-17,15-18-10-5-2-6-11-18)13-7-12-20-21-19(16-30-20)25-23(29)26-21;13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h1-6,8-11,19-21H,7,12-16H2,(H,27,28)(H2,25,26,29);6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)