3-(2-methoxypyrimidin-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(2-methoxypyrimidin-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoic acid Openeye Name: 3-(2-methoxypyrimidin-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid CAS Name: 3-(2-methoxy-5-pyrimidinyl)-2-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(2-methoxypyrimidin-5-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-(2-methoxypyrimidin-5-yl)propionic acid Formula: C22H26N6O5 MolecularWeight: 454.47904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)CC(C(=O)O)NC(=O)N2CCC(CC2)N3CC4=CC=CC=C4NC3=O

Isomeric SMILES

COC1=NC=C(C=N1)CC(C(=O)O)NC(=O)N2CCC(CC2)N3CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H26N6O5/c1-33-20-23-11-14(12-24-20)10-18(19(29)30)26-21(31)27-8-6-16(7-9-27)28-13-15-4-2-3-5-17(15)25-22(28)32/h2-5,11-12,16,18H,6-10,13H2,1H3,(H,25,32)(H,26,31)(H,29,30)