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

Systemtic Name: (2S)-2-[(2-benzamido-2-methyl-propanoyl)amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(2-benzamido-2-methyl-propanoyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[(2-benzamido-2-methyl-1-oxopropyl)amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(2-benzamido-2-methylpropanoyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(2-benzamido-2-methyl-propanoyl)amino]-3-phenyl-propionic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4/c1-20(2,22-17(23)15-11-7-4-8-12-15)19(26)21-16(18(24)25)13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)/t16-/m0/s1