7-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-(4-azanylbutyl)-3-oxidanylidene-heptanoic acid

Systemtic Name: 7-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-(4-azanylbutyl)-3-oxidanylidene-heptanoic acid Openeye Name: 7-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-(4-aminobutyl)-3-oxo-heptanoic acid CAS Name: 7-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-(4-aminobutyl)-3-oxoheptanoic acid IUPAC Name: 7-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-(4-aminobutyl)-3-oxoheptanoic acid Traditional Name: 7-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-2-(4-aminobutyl)-3-keto-enanthic acid Formula: C16H27N3O4S MolecularWeight: 357.46828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)C(CCCCN)C(=O)O)NC(=O)N2

Isomeric SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)C(CCCCN)C(=O)O)NC(=O)N2

InChI

InChI=1S/C16H27N3O4S/c17-8-4-3-5-10(15(21)22)12(20)6-1-2-7-13-14-11(9-24-13)18-16(23)19-14/h10-11,13-14H,1-9,17H2,(H,21,22)(H2,18,19,23)/t10?,11-,13-,14-/m0/s1