sodium 4-methylsulfanyl-2-(pentadecanoylamino)butanoic acid

Systemtic Name: sodium 4-methylsulfanyl-2-(pentadecanoylamino)butanoic acid Openeye Name: sodium 4-methylsulfanyl-2-(pentadecanoylamino)butanoic acid CAS Name: sodium 4-(methylthio)-2-(1-oxopentadecylamino)butanoic acid IUPAC Name: sodium 4-methylsulfanyl-2-(pentadecanoylamino)butanoic acid Traditional Name: sodium 4-(methylthio)-2-(pentadecanoylamino)butyric acid Formula: C20H39NNaO3S+ MolecularWeight: 396.58333

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O.[Na+]

InChI

InChI=1S/C20H39NO3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18(20(23)24)16-17-25-2;/h18H,3-17H2,1-2H3,(H,21,22)(H,23,24);/q;+1