4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid

Systemtic Name: 4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid Openeye Name: 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid CAS Name: 4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxo-5-[4-(2-pyrimidinyl)-1-piperazinyl]pentanoic acid IUPAC Name: 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid Traditional Name: 5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-[4-(2-pyrimidyl)piperazino]valeric acid Formula: C24H26N6O5 MolecularWeight: 478.50044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H26N6O5/c1-35-20-15-19(27-17-6-3-2-5-16(17)20)22(33)28-18(7-8-21(31)32)23(34)29-11-13-30(14-12-29)24-25-9-4-10-26-24/h2-6,9-10,15,18H,7-8,11-14H2,1H3,(H,28,33)(H,31,32)