4-azanyl-2-[6,8-bis(sulfanyl)octanoylamino]-3-oxidanylidene-hexanedioic acid

Systemtic Name: 4-azanyl-2-[6,8-bis(sulfanyl)octanoylamino]-3-oxidanylidene-hexanedioic acid Openeye Name: 4-amino-2-[6,8-bis(sulfanyl)octanoylamino]-3-oxo-hexanedioic acid CAS Name: 4-amino-2-[(6,8-dimercapto-1-oxooctyl)amino]-3-oxohexanedioic acid IUPAC Name: 4-amino-2-[6,8-bis(sulfanyl)octanoylamino]-3-oxohexanedioic acid Traditional Name: 4-amino-2-(6,8-dimercaptooctanoylamino)-3-keto-adipic acid Formula: C14H24N2O6S2 MolecularWeight: 380.48016

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)NC(C(=O)C(CC(=O)O)N)C(=O)O)CC(CCS)S

Isomeric SMILES

C(CCC(=O)NC(C(=O)C(CC(=O)O)N)C(=O)O)CC(CCS)S

InChI

InChI=1S/C14H24N2O6S2/c15-9(7-11(18)19)13(20)12(14(21)22)16-10(17)4-2-1-3-8(24)5-6-23/h8-9,12,23-24H,1-7,15H2,(H,16,17)(H,18,19)(H,21,22)