2-[[5-cyano-4-oxidanylidene-2-(phenylmethyl)pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-cyano-4-oxidanylidene-2-(phenylmethyl)pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-benzyl-5-cyano-4-oxo-pentanoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[5-cyano-1,4-dioxo-2-(phenylmethyl)pentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-benzyl-5-cyano-4-oxopentanoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-benzyl-5-cyano-4-keto-pentanoyl)amino]-3-phenyl-propionic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)CC#N)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)CC#N)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H22N2O4/c23-12-11-19(25)15-18(13-16-7-3-1-4-8-16)21(26)24-20(22(27)28)14-17-9-5-2-6-10-17/h1-10,18,20H,11,13-15H2,(H,24,26)(H,27,28)