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

Systemtic Name: 2-(hexanoylamino)-3-sulfanyl-propanoic acid Openeye Name: 2-(hexanoylamino)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-(1-oxohexylamino)propanoic acid IUPAC Name: 2-(hexanoylamino)-3-sulfanylpropanoic acid Traditional Name: 2-(caproylamino)-3-mercapto-propionic acid Formula: C9H17NO3S MolecularWeight: 219.30118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CS)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC(CS)C(=O)O

InChI

InChI=1S/C9H17NO3S/c1-2-3-4-5-8(11)10-7(6-14)9(12)13/h7,14H,2-6H2,1H3,(H,10,11)(H,12,13)