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

Systemtic Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-(1H-imidazol-5-yl)propanoate CAS Name: sodium zinc 2-[(6,8-dimercapto-1-oxooctyl)amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: sodium zinc 2-(6,8-dimercaptooctanoylamino)-3-(1H-imidazol-5-yl)propionate Formula: C28H44N6NaO6S4Zn+ MolecularWeight: 777.34433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H23N3O3S2.Na.Zn/c2*18-13(4-2-1-3-11(22)5-6-21)17-12(14(19)20)7-10-8-15-9-16-10;;/h2*8-9,11-12,21-22H,1-7H2,(H,15,16)(H,17,18)(H,19,20);;/q;;+1;+2/p-2