disodium 3-[dodecanoyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-4-(2-hydroxyethylamino)butanoate

Systemtic Name: disodium 3-[dodecanoyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-4-(2-hydroxyethylamino)butanoate Openeye Name: disodium 3-[dodecanoyl-(2-oxido-2-oxo-ethyl)amino]-4-(2-hydroxyethylamino)butanoate CAS Name: disodium 4-(2-hydroxyethylamino)-3-[(2-oxido-2-oxoethyl)-(1-oxododecyl)amino]butanoate IUPAC Name: disodium 3-[dodecanoyl-(2-oxido-2-oxoethyl)amino]-4-(2-hydroxyethylamino)butanoate Traditional Name: disodium 4-(2-hydroxyethylamino)-3-[(2-keto-2-oxido-ethyl)-lauroyl-amino]butyrate Formula: C20H36N2Na2O6 MolecularWeight: 446.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N(CC(=O)[O-])C(CC(=O)[O-])CNCCO.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)N(CC(=O)[O-])C(CC(=O)[O-])CNCCO.[Na+].[Na+]

InChI

InChI=1S/C20H38N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-18(24)22(16-20(27)28)17(14-19(25)26)15-21-12-13-23;;/h17,21,23H,2-16H2,1H3,(H,25,26)(H,27,28);;/q;2*+1/p-2