2-acetamido-2-(sulfanylmethyl)icosanoic acid

Systemtic Name: 2-acetamido-2-(sulfanylmethyl)icosanoic acid Openeye Name: 2-acetamido-2-(sulfanylmethyl)icosanoic acid CAS Name: 2-acetamido-2-(mercaptomethyl)eicosanoic acid IUPAC Name: 2-acetamido-2-(sulfanylmethyl)icosanoic acid Traditional Name: 2-acetamido-2-(mercaptomethyl)arachidic acid Formula: C23H45NO3S MolecularWeight: 415.6733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CS)(C(=O)O)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CS)(C(=O)O)NC(=O)C

InChI

InChI=1S/C23H45NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-28,22(26)27)24-21(2)25/h28H,3-20H2,1-2H3,(H,24,25)(H,26,27)