2-(icosanoylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(icosanoylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(icosanoylamino)-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-(1-oxoeicosylamino)butanoic acid IUPAC Name: 2-(icosanoylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(eicosanoylamino)-4-(methylthio)butyric acid Formula: C25H49NO3S MolecularWeight: 443.72646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C25H49NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)26-23(25(28)29)21-22-30-2/h23H,3-22H2,1-2H3,(H,26,27)(H,28,29)