1-[3-[2-[5-[(3aR,6aS)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyldisulfanyl]propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid

Systemtic Name: 1-[3-[2-[5-[(3aR,6aS)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyldisulfanyl]propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[3-[2-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyldisulfanyl]propanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[3-[2-[[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]ethyldisulfanyl]-1-oxopropoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[3-[2-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyldisulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 1-[3-[2-[5-[(3aR,6aS)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]ethyldisulfanyl]propanoyloxy]-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C19H28N4O9S4 MolecularWeight: 584.70702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H]2[C@H](C(S1)CCCCC(=O)NCCSSCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)O)NC(=O)N2

InChI

InChI=1S/C19H28N4O9S4/c24-14(4-2-1-3-12-17-11(10-33-12)21-19(28)22-17)20-6-8-35-34-7-5-16(26)32-23-15(25)9-13(18(23)27)36(29,30)31/h11-13,17H,1-10H2,(H,20,24)(H2,21,22,28)(H,29,30,31)/t11-,12?,13?,17-/m1/s1