sodium 2-azanyl-3-oxidanylidene-2-(sulfanylmethyl)tetradecanoic acid

Systemtic Name: sodium 2-azanyl-3-oxidanylidene-2-(sulfanylmethyl)tetradecanoic acid Openeye Name: sodium 2-amino-3-oxo-2-(sulfanylmethyl)tetradecanoic acid CAS Name: sodium 2-amino-2-(mercaptomethyl)-3-oxotetradecanoic acid IUPAC Name: sodium 2-amino-3-oxo-2-(sulfanylmethyl)tetradecanoic acid Traditional Name: sodium 2-amino-3-keto-2-(mercaptomethyl)myristic acid Formula: C15H29NNaO3S+ MolecularWeight: 326.45043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(CS)(C(=O)O)N.[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)C(CS)(C(=O)O)N.[Na+]

InChI

InChI=1S/C15H29NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-13(17)15(16,12-20)14(18)19;/h20H,2-12,16H2,1H3,(H,18,19);/q;+1