sodium zinc 2-[6,8-bis(sulfanidyl)octanoylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: sodium zinc 2-[6,8-bis(sulfanidyl)octanoylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: sodium zinc 2-(6,8-disulfidooctanoylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: sodium zinc 3-(1H-imidazol-5-yl)-2-[(1-oxo-6,8-disulfidooctyl)amino]propanoate IUPAC Name: sodium zinc 2-(6,8-disulfidooctanoylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: sodium zinc 2-(6,8-disulfidooctanoylamino)-3-(1H-imidazol-5-yl)propionate Formula: C14H20N3NaO3S2Zn MolecularWeight: 430.85567

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)[O-])NC(=O)CCCCC(CC[S-])[S-].[Na+].[Zn+2]

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)[O-])NC(=O)CCCCC(CC[S-])[S-].[Na+].[Zn+2]

InChI

InChI=1S/C14H23N3O3S2.Na.Zn/c18-13(4-2-1-3-11(22)5-6-21)17-12(14(19)20)7-10-8-15-9-16-10;;/h8-9,11-12,21-22H,1-7H2,(H,15,16)(H,17,18)(H,19,20);;/q;+1;+2/p-3