1-[5-[(3aR,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid

Systemtic Name: 1-[5-[(3aR,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 1-[5-[(3aR,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoyl]-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C14H19N3O7S2 MolecularWeight: 405.44656

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C(=O)CCCCC2C3C(CS2)NC(=O)N3)S(=O)(=O)O

Isomeric SMILES

C1[C@H]2[C@H]([C@@H](S1)CCCCC(=O)N3C(=O)CC(C3=O)S(=O)(=O)O)NC(=O)N2

InChI

InChI=1S/C14H19N3O7S2/c18-10(17-11(19)5-9(13(17)20)26(22,23)24)4-2-1-3-8-12-7(6-25-8)15-14(21)16-12/h7-9,12H,1-6H2,(H2,15,16,21)(H,22,23,24)/t7-,8-,9?,12+/m0/s1