3-(3-methoxyphenyl)-3-[[6-oxidanylidene-1-(thiophen-2-ylmethyl)-2,3-dihydropyridin-5-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(3-methoxyphenyl)-3-[[6-oxidanylidene-1-(thiophen-2-ylmethyl)-2,3-dihydropyridin-5-yl]carbamoylamino]propanoic acid Openeye Name: 3-(3-methoxyphenyl)-3-[[6-oxo-1-(2-thienylmethyl)-2,3-dihydropyridin-5-yl]carbamoylamino]propanoic acid CAS Name: 3-(3-methoxyphenyl)-3-[[oxo-[[6-oxo-1-(thiophen-2-ylmethyl)-2,3-dihydropyridin-5-yl]amino]methyl]amino]propanoic acid IUPAC Name: 3-(3-methoxyphenyl)-3-[[6-oxo-1-(thiophen-2-ylmethyl)-2,3-dihydropyridin-5-yl]carbamoylamino]propanoic acid Traditional Name: 3-[[6-keto-1-(2-thenyl)-2,3-dihydropyridin-5-yl]carbamoylamino]-3-(3-methoxyphenyl)propionic acid Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-29-15-6-2-5-14(11-15)18(12-19(25)26)23-21(28)22-17-8-3-9-24(20(17)27)13-16-7-4-10-30-16/h2,4-8,10-11,18H,3,9,12-13H2,1H3,(H,25,26)(H2,22,23,28)