3-(3,5-dimethoxyphenyl)-3-[[2-oxidanylidene-1-(thiophen-2-ylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(3,5-dimethoxyphenyl)-3-[[2-oxidanylidene-1-(thiophen-2-ylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-(3,5-dimethoxyphenyl)-3-[[2-oxo-1-(2-thienylmethyl)-3-pyridyl]carbamoylamino]propanoic acid CAS Name: 3-(3,5-dimethoxyphenyl)-3-[[oxo-[[2-oxo-1-(thiophen-2-ylmethyl)-3-pyridinyl]amino]methyl]amino]propanoic acid IUPAC Name: 3-(3,5-dimethoxyphenyl)-3-[[2-oxo-1-(thiophen-2-ylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-(3,5-dimethoxyphenyl)-3-[[2-keto-1-(2-thenyl)-3-pyridyl]carbamoylamino]propionic acid Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=CC=CS3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=CC=CS3)OC

InChI

InChI=1S/C22H23N3O6S/c1-30-15-9-14(10-16(11-15)31-2)19(12-20(26)27)24-22(29)23-18-6-3-7-25(21(18)28)13-17-5-4-8-32-17/h3-11,19H,12-13H2,1-2H3,(H,26,27)(H2,23,24,29)