4-methyl-2-[[2-naphthalen-1-yl-4-(pyridin-2-ylmethylamino)phenyl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-naphthalen-1-yl-4-(pyridin-2-ylmethylamino)phenyl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[2-(1-naphthyl)-4-(2-pyridylmethylamino)benzoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[[2-(1-naphthalenyl)-4-(2-pyridinylmethylamino)phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-naphthalen-1-yl-4-(pyridin-2-ylmethylamino)benzoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-(1-naphthyl)-4-(2-pyridylmethylamino)benzoyl]amino]valeric acid Formula: C29H29N3O3 MolecularWeight: 467.55886

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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=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CC=CC=N2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H29N3O3/c1-19(2)16-27(29(34)35)32-28(33)25-14-13-21(31-18-22-10-5-6-15-30-22)17-26(25)24-12-7-9-20-8-3-4-11-23(20)24/h3-15,17,19,27,31H,16,18H2,1-2H3,(H,32,33)(H,34,35)