2-(octanoylamino)-3-sulfanyl-propanoic acid

Systemtic Name: 2-(octanoylamino)-3-sulfanyl-propanoic acid Openeye Name: 2-(octanoylamino)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-(1-oxooctylamino)propanoic acid IUPAC Name: 2-(octanoylamino)-3-sulfanylpropanoic acid Traditional Name: 2-(caprylylamino)-3-mercapto-propionic acid Formula: C11H21NO3S MolecularWeight: 247.35434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CS)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC(CS)C(=O)O

InChI

InChI=1S/C11H21NO3S/c1-2-3-4-5-6-7-10(13)12-9(8-16)11(14)15/h9,16H,2-8H2,1H3,(H,12,13)(H,14,15)