2-azanyl-3-oxidanylidene-2-(2-sulfanylethyl)octadecanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-2-(2-sulfanylethyl)octadecanoic acid Openeye Name: 2-amino-3-oxo-2-(2-sulfanylethyl)octadecanoic acid CAS Name: 2-amino-2-(2-mercaptoethyl)-3-oxooctadecanoic acid IUPAC Name: 2-amino-3-oxo-2-(2-sulfanylethyl)octadecanoic acid Traditional Name: 2-amino-3-keto-2-(2-mercaptoethyl)stearic acid Formula: C20H39NO3S MolecularWeight: 373.59356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CCS)(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(CCS)(C(=O)O)N

InChI

InChI=1S/C20H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20(21,16-17-25)19(23)24/h25H,2-17,21H2,1H3,(H,23,24)