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

Systemtic Name: 5-[(3aR,4R,6aS)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[[2-methoxy-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]propyl]pentanamide Openeye Name: 5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[(2-methoxy-3,4-dioxo-cyclobuten-1-yl)amino]propyl]pentanamide CAS Name: 5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[(2-methoxy-3,4-dioxo-1-cyclobutenyl)amino]propyl]pentanamide IUPAC Name: 5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]propyl]pentanamide Traditional Name: 5-[(3aR,4R,6aS)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-[3-[(3,4-diketo-2-methoxy-cyclobuten-1-yl)amino]propyl]valeramide Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O5S/c1-27-17-14(15(24)16(17)25)20-8-4-7-19-12(23)6-3-2-5-11-13-10(9-28-11)21-18(26)22-13/h10-11,13,20H,2-9H2,1H3,(H,19,23)(H2,21,22,26)/t10-,11-,13-/m1/s1