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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CC=CC=N2)C3=CC=CC=C3

InChI

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