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

Systemtic Name: 2-(decanoylamino)-3-sulfanyl-propanoic acid Openeye Name: 2-(decanoylamino)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-(1-oxodecylamino)propanoic acid IUPAC Name: 2-(decanoylamino)-3-sulfanylpropanoic acid Traditional Name: 2-(caprylamino)-3-mercapto-propionic acid Formula: C13H25NO3S MolecularWeight: 275.4075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CS)C(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)NC(CS)C(=O)O

InChI

InChI=1S/C13H25NO3S/c1-2-3-4-5-6-7-8-9-12(15)14-11(10-18)13(16)17/h11,18H,2-10H2,1H3,(H,14,15)(H,16,17)