2-[(2-benzamido-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-benzamido-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-benzamido-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2-benzamido-1-oxo-3-phenylpropyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-benzamido-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-benzamido-3-phenyl-propanoyl)amino]-4-(methylthio)butyric acid Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-28-13-12-17(21(26)27)22-20(25)18(14-15-8-4-2-5-9-15)23-19(24)16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H,22,25)(H,23,24)(H,26,27)