methyl 3-[[3-(aminocarbonylamino)-3-(2-methylphenyl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[3-(aminocarbonylamino)-3-(2-methylphenyl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 3-[[3-(o-tolyl)-3-ureido-propanoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[3-(carbamoylamino)-3-(2-methylphenyl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[3-(o-tolyl)-3-ureido-propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)NC(CC(=O)OC)C2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)NC(CC(=O)OC)C2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C21H25N3O4/c1-14-8-6-7-11-16(14)18(24-21(22)27)12-19(25)23-17(13-20(26)28-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3,(H,23,25)(H3,22,24,27)