3-(6-methoxypyridin-3-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(6-methoxypyridin-3-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoic acid Openeye Name: 3-(6-methoxy-3-pyridyl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid CAS Name: 3-(6-methoxy-3-pyridinyl)-2-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(6-methoxypyridin-3-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid Traditional Name: 2-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-3-(6-methoxy-3-pyridyl)propionic acid Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)CC(C(=O)O)NC(=O)N2CCC(CC2)N3CC4=CC=CC=C4NC3=O

Isomeric SMILES

COC1=NC=C(C=C1)CC(C(=O)O)NC(=O)N2CCC(CC2)N3CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C23H27N5O5/c1-33-20-7-6-15(13-24-20)12-19(21(29)30)26-22(31)27-10-8-17(9-11-27)28-14-16-4-2-3-5-18(16)25-23(28)32/h2-7,13,17,19H,8-12,14H2,1H3,(H,25,32)(H,26,31)(H,29,30)