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

Systemtic Name: 3-(4-methylphenyl)-3-[[2-oxidanylidene-1-(thiophen-2-ylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[2-oxo-1-(2-thienylmethyl)-3-pyridyl]carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-(4-methylphenyl)-3-[[oxo-[[2-oxo-1-(thiophen-2-ylmethyl)-3-pyridinyl]amino]methyl]amino]propanoic acid IUPAC Name: 3-(4-methylphenyl)-3-[[2-oxo-1-(thiophen-2-ylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-[[2-keto-1-(2-thenyl)-3-pyridyl]carbamoylamino]-3-(p-tolyl)propionic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=CC=CS3

InChI

InChI=1S/C21H21N3O4S/c1-14-6-8-15(9-7-14)18(12-19(25)26)23-21(28)22-17-5-2-10-24(20(17)27)13-16-4-3-11-29-16/h2-11,18H,12-13H2,1H3,(H,25,26)(H2,22,23,28)