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

Systemtic Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoate Openeye Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoate CAS Name: sodium zinc 2-[(6,8-dimercapto-1-oxooctyl)amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate IUPAC Name: sodium zinc 2-[6,8-bis(sulfanyl)octanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoate Traditional Name: sodium zinc 2-(6,8-dimercaptooctanoylamino)-3-(5-hydroxy-1H-indol-3-yl)propionate Formula: C38H50N4NaO8S4Zn+ MolecularWeight: 907.48437

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)[O-])NC(=O)CCCCC(CCS)S.C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)[O-])NC(=O)CCCCC(CCS)S.[Na+].[Zn+2]

Isomeric SMILES

C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)[O-])NC(=O)CCCCC(CCS)S.C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)[O-])NC(=O)CCCCC(CCS)S.[Na+].[Zn+2]

InChI

InChI=1S/2C19H26N2O4S2.Na.Zn/c2*22-13-5-6-16-15(10-13)12(11-20-16)9-17(19(24)25)21-18(23)4-2-1-3-14(27)7-8-26;;/h2*5-6,10-11,14,17,20,22,26-27H,1-4,7-9H2,(H,21,23)(H,24,25);;/q;;+1;+2/p-2