sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-methyl-3-sulfanyl-butanoate

Systemtic Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-methyl-3-sulfanyl-butanoate Openeye Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-methyl-3-sulfanyl-butanoate CAS Name: sodium zinc 2-[(6,8-dimercapto-1-oxooctyl)amino]-3-mercapto-3-methylbutanoate IUPAC Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-methyl-3-sulfanylbutanoate Traditional Name: sodium zinc 2-(6,8-dimercaptooctanoylamino)-3-mercapto-3-methyl-butyrate Formula: C26H48N2NaO6S6Zn+ MolecularWeight: 765.45789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H25NO3S3.Na.Zn/c2*1-13(2,20)11(12(16)17)14-10(15)6-4-3-5-9(19)7-8-18;;/h2*9,11,18-20H,3-8H2,1-2H3,(H,14,15)(H,16,17);;/q;;+1;+2/p-2