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

Systemtic Name: 2-[(3-benzamido-3-phenyl-propanoyl)amino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[(3-benzamido-3-phenyl-propanoyl)amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[(3-benzamido-1-oxo-3-phenylpropyl)amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[(3-benzamido-3-phenylpropanoyl)amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[(3-benzamido-3-phenyl-propanoyl)amino]-3-(methylthio)propionic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCC(C(=O)O)NC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-27-13-17(20(25)26)21-18(23)12-16(14-8-4-2-5-9-14)22-19(24)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,21,23)(H,22,24)(H,25,26)