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

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

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=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2=CC=NC=C2)C3=CC=CC4=CC=CC=C43

InChI

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