sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-phenyl-propanoate

Systemtic Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-phenyl-propanoate Openeye Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-phenyl-propanoate CAS Name: sodium zinc 2-[(6,8-dimercapto-1-oxooctyl)amino]-3-phenylpropanoate IUPAC Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-phenylpropanoate Traditional Name: sodium zinc 2-(6,8-dimercaptooctanoylamino)-3-phenyl-propionate Formula: C34H48N2NaO6S4Zn+ MolecularWeight: 797.41349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H25NO3S2.Na.Zn/c2*19-16(9-5-4-8-14(23)10-11-22)18-15(17(20)21)12-13-6-2-1-3-7-13;;/h2*1-3,6-7,14-15,22-23H,4-5,8-12H2,(H,18,19)(H,20,21);;/q;;+1;+2/p-2