5-[4-[[6-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]oxy-6-oxidanylidene-hexyl]carbamoyl]-2-oxidanylidene-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

Systemtic Name: 5-[4-[[6-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]oxy-6-oxidanylidene-hexyl]carbamoyl]-2-oxidanylidene-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid Openeye Name: 5-[4-[[6-(1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl)oxy-6-oxo-hexyl]carbamoyl]-2-oxo-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid CAS Name: 5-[4-[[[6-[(1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumyl)oxy]-6-oxohexyl]amino]-oxomethyl]-2-oxo-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid IUPAC Name: 5-[4-[[6-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl)oxy-6-oxohexyl]carbamoyl]-2-oxo-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid Traditional Name: 5-[4-[[6-(1-hydroxy-2,5-diketo-pyrrolidin-1-ium-1-yl)oxy-6-keto-hexyl]carbamoyl]-2-keto-3,3a,6,6a-tetrahydro-1H-thien[3,4-d]imidazol-4-yl]valeric acid Formula: C21H31N4O9S+ MolecularWeight: 515.55724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1=O)(O)OC(=O)CCCCCNC(=O)C2(C3C(CS2)NC(=O)N3)CCCCC(=O)O

Isomeric SMILES

C1CC(=O)[N+](C1=O)(O)OC(=O)CCCCCNC(=O)C2(C3C(CS2)NC(=O)N3)CCCCC(=O)O

InChI

InChI=1S/C21H30N4O9S/c26-14-8-9-15(27)25(14,33)34-17(30)7-2-1-5-11-22-19(31)21(10-4-3-6-16(28)29)18-13(12-35-21)23-20(32)24-18/h13,18,33H,1-12H2,(H3-,22,23,24,28,29,31,32)/p+1