5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[9-[(2-oxidanylidene-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)amino]nonyl]pentanamide

Systemtic Name: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[9-[(2-oxidanylidene-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)amino]nonyl]pentanamide Openeye Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[9-[(2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)amino]nonyl]pentanamide CAS Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[9-[(2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphorin-2-yl)amino]nonyl]pentanamide IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[9-[(2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)amino]nonyl]pentanamide Traditional Name: 5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-[9-[(2-keto-4H-1,3,2$l^{5}-benzodioxaphosphorin-2-yl)amino]nonyl]valeramide Formula: C26H41N4O5PS MolecularWeight: 552.666301

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)NCCCCCCCCCNP3(=O)OCC4=CC=CC=C4O3)NC(=O)N2

Isomeric SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCCCCNP3(=O)OCC4=CC=CC=C4O3)NC(=O)N2

InChI

InChI=1S/C26H41N4O5PS/c31-24(15-9-8-14-23-25-21(19-37-23)29-26(32)30-25)27-16-10-4-2-1-3-5-11-17-28-36(33)34-18-20-12-6-7-13-22(20)35-36/h6-7,12-13,21,23,25H,1-5,8-11,14-19H2,(H,27,31)(H,28,33)(H2,29,30,32)/t21-,23-,25-,36?/m0/s1