disodium 2-(2-aminocarbonylbutyl)-6-azanyl-5-oxidanylidene-6-(sulfonatomethyl)octanoate

Systemtic Name: disodium 2-(2-aminocarbonylbutyl)-6-azanyl-5-oxidanylidene-6-(sulfonatomethyl)octanoate Openeye Name: disodium 6-amino-2-(2-carbamoylbutyl)-5-oxo-6-(sulfonatomethyl)octanoate CAS Name: disodium 6-amino-2-(2-carbamoylbutyl)-5-oxo-6-(sulfonatomethyl)octanoate IUPAC Name: disodium 6-amino-2-(2-carbamoylbutyl)-5-oxo-6-(sulfonatomethyl)octanoate Traditional Name: disodium 6-amino-2-(2-carbamoylbutyl)-5-keto-6-(sulfonatomethyl)caprylate Formula: C14H24N2Na2O7S MolecularWeight: 410.3941

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CCC(=O)C(CC)(CS(=O)(=O)[O-])N)C(=O)[O-])C(=O)N.[Na+].[Na+]

Isomeric SMILES

CCC(CC(CCC(=O)C(CC)(CS(=O)(=O)[O-])N)C(=O)[O-])C(=O)N.[Na+].[Na+]

InChI

InChI=1S/C14H26N2O7S.2Na/c1-3-9(12(15)18)7-10(13(19)20)5-6-11(17)14(16,4-2)8-24(21,22)23;;/h9-10H,3-8,16H2,1-2H3,(H2,15,18)(H,19,20)(H,21,22,23);;/q;2*+1/p-2