2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: 2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(2-ammonio-1-oxo-3-phenylpropyl)amino]-4-(methylthio)butanoate IUPAC Name: 2-[(2-azaniumyl-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-ammonio-3-phenyl-propanoyl)amino]-4-(methylthio)butyrate Formula: C14H20N2O3S MolecularWeight: 296.3852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CSCCC(C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C14H20N2O3S/c1-20-8-7-12(14(18)19)16-13(17)11(15)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)