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

Systemtic Name: 1-[6-[5-[(3aR,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[6-[5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[6-[[5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[6-[5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 1-[6-[5-[(3aR,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C20H30N4O9S2 MolecularWeight: 534.6036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O9S2/c25-15(7-4-3-6-13-18-12(11-34-13)22-20(29)23-18)21-9-5-1-2-8-17(27)33-24-16(26)10-14(19(24)28)35(30,31)32/h12-14,18H,1-11H2,(H,21,25)(H2,22,23,29)(H,30,31,32)/t12-,13-,14?,18+/m0/s1