4-methyl-2-[[2-phenyl-4-(pyridin-3-ylmethylamino)phenyl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-phenyl-4-(pyridin-3-ylmethylamino)phenyl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[2-phenyl-4-(3-pyridylmethylamino)benzoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[oxo-[2-phenyl-4-(3-pyridinylmethylamino)phenyl]methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-phenyl-4-(pyridin-3-ylmethylamino)benzoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-phenyl-4-(3-pyridylmethylamino)benzoyl]amino]valeric acid Formula: C25H27N3O3 MolecularWeight: 417.50018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3/c1-17(2)13-23(25(30)31)28-24(29)21-11-10-20(27-16-18-7-6-12-26-15-18)14-22(21)19-8-4-3-5-9-19/h3-12,14-15,17,23,27H,13,16H2,1-2H3,(H,28,29)(H,30,31)