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

Systemtic Name: 2,5-bis(oxidanylidene)-1-[6-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoyloxy]pyrrolidine-3-sulfonate Openeye Name: 2,5-dioxo-1-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoyloxy]pyrrolidine-3-sulfonate CAS Name: 2,5-dioxo-1-[1-oxo-6-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]hexoxy]-3-pyrrolidinesulfonate IUPAC Name: 2,5-dioxo-1-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoyloxy]pyrrolidine-3-sulfonate Traditional Name: 2,5-diketo-1-[6-[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoylamino]hexanoyloxy]pyrrolidine-3-sulfonate Formula: C20H29N4O9S2- MolecularWeight: 533.59566

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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

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

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)/p-1