3-[[1-[(2-chlorophenyl)methyl]-2-oxidanylidene-4-(pyridin-2-ylamino)pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[1-[(2-chlorophenyl)methyl]-2-oxidanylidene-4-(pyridin-2-ylamino)pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[1-[(2-chlorophenyl)methyl]-2-oxo-4-(2-pyridylamino)-3-pyridyl]carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[[1-[(2-chlorophenyl)methyl]-2-oxo-4-(2-pyridinylamino)-3-pyridinyl]amino]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[1-[(2-chlorophenyl)methyl]-2-oxo-4-(pyridin-2-ylamino)pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[1-(2-chlorobenzyl)-2-keto-4-(2-pyridylamino)-3-pyridyl]carbamoylamino]-3-(p-tolyl)propionic acid Formula: C28H26ClN5O4 MolecularWeight: 531.99014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(C=CN(C2=O)CC3=CC=CC=C3Cl)NC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(C=CN(C2=O)CC3=CC=CC=C3Cl)NC4=CC=CC=N4

InChI

InChI=1S/C28H26ClN5O4/c1-18-9-11-19(12-10-18)23(16-25(35)36)32-28(38)33-26-22(31-24-8-4-5-14-30-24)13-15-34(27(26)37)17-20-6-2-3-7-21(20)29/h2-15,23H,16-17H2,1H3,(H,30,31)(H,35,36)(H2,32,33,38)