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

Systemtic Name: 4-methyl-2-[[2-phenyl-4-(pyridin-4-ylmethylamino)phenyl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[2-phenyl-4-(4-pyridylmethylamino)benzoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[oxo-[2-phenyl-4-(pyridin-4-ylmethylamino)phenyl]methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-phenyl-4-(pyridin-4-ylmethylamino)benzoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-phenyl-4-(4-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=CC=NC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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