3-(4-methylphenyl)-3-[[2-oxidanyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(4-methylphenyl)-3-[[2-oxidanyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[2-hydroxy-4-oxo-1-(2-pyridylmethyl)-3-pyridyl]carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[[2-hydroxy-4-oxo-1-(2-pyridinylmethyl)-3-pyridinyl]amino]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[2-hydroxy-4-oxo-1-(pyridin-2-ylmethyl)pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[2-hydroxy-4-keto-1-(2-pyridylmethyl)-3-pyridyl]carbamoylamino]-3-(p-tolyl)propionic acid Formula: C22H22N4O5 MolecularWeight: 422.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(N(C=CC2=O)CC3=CC=CC=N3)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(N(C=CC2=O)CC3=CC=CC=N3)O

InChI

InChI=1S/C22H22N4O5/c1-14-5-7-15(8-6-14)17(12-19(28)29)24-22(31)25-20-18(27)9-11-26(21(20)30)13-16-4-2-3-10-23-16/h2-11,17,30H,12-13H2,1H3,(H,28,29)(H2,24,25,31)