3-[6,8-bis(sulfanyl)octanoylamino]-4-(carboxymethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[6,8-bis(sulfanyl)octanoylamino]-4-(carboxymethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-[6,8-bis(sulfanyl)octanoylamino]-4-(carboxymethylamino)-4-oxo-butanoic acid CAS Name: 4-(carboxymethylamino)-3-[(6,8-dimercapto-1-oxooctyl)amino]-4-oxobutanoic acid IUPAC Name: 3-[6,8-bis(sulfanyl)octanoylamino]-4-(carboxymethylamino)-4-oxobutanoic acid Traditional Name: 4-(carboxymethylamino)-3-(6,8-dimercaptooctanoylamino)-4-keto-butyric acid Formula: C14H24N2O6S2 MolecularWeight: 380.48016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O6S2/c17-11(4-2-1-3-9(24)5-6-23)16-10(7-12(18)19)14(22)15-8-13(20)21/h9-10,23-24H,1-8H2,(H,15,22)(H,16,17)(H,18,19)(H,20,21)