5-[(3aR,4R,6aS)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[6-[[2-methoxy-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]hexyl]pentanamide

Systemtic Name: 5-[(3aR,4R,6aS)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[6-[[2-methoxy-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]hexyl]pentanamide Openeye Name: 5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[6-[(2-methoxy-3,4-dioxo-cyclobuten-1-yl)amino]hexyl]pentanamide CAS Name: 5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[6-[(2-methoxy-3,4-dioxo-1-cyclobutenyl)amino]hexyl]pentanamide IUPAC Name: 5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[6-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]hexyl]pentanamide Traditional Name: 5-[(3aR,4R,6aS)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-[6-[(3,4-diketo-2-methoxy-cyclobuten-1-yl)amino]hexyl]valeramide Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C1=O)NCCCCCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3

Isomeric SMILES

COC1=C(C(=O)C1=O)NCCCCCCNC(=O)CCCC[C@@H]2[C@H]3[C@@H](CS2)NC(=O)N3

InChI

InChI=1S/C21H32N4O5S/c1-30-20-17(18(27)19(20)28)23-11-7-3-2-6-10-22-15(26)9-5-4-8-14-16-13(12-31-14)24-21(29)25-16/h13-14,16,23H,2-12H2,1H3,(H,22,26)(H2,24,25,29)/t13-,14-,16-/m1/s1