2-(1-phenylheptylamino)-3-sulfanyl-propanoic acid

Systemtic Name: 2-(1-phenylheptylamino)-3-sulfanyl-propanoic acid Openeye Name: 2-(1-phenylheptylamino)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-(1-phenylheptylamino)propanoic acid IUPAC Name: 2-(1-phenylheptylamino)-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-(1-phenylheptylamino)propionic acid Formula: C16H25NO2S MolecularWeight: 295.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC=CC=C1)NC(CS)C(=O)O

Isomeric SMILES

CCCCCCC(C1=CC=CC=C1)NC(CS)C(=O)O

InChI

InChI=1S/C16H25NO2S/c1-2-3-4-8-11-14(13-9-6-5-7-10-13)17-15(12-20)16(18)19/h5-7,9-10,14-15,17,20H,2-4,8,11-12H2,1H3,(H,18,19)