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

Systemtic Name: 5-(4-aminocarbonylpiperazin-1-yl)-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-(4-carbamoyl-1-piperazinyl)-4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbamoylpiperazino)-5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]valeric acid Formula: C21H25N5O6 MolecularWeight: 443.4531

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O6/c1-32-17-12-16(23-14-5-3-2-4-13(14)17)19(29)24-15(6-7-18(27)28)20(30)25-8-10-26(11-9-25)21(22)31/h2-5,12,15H,6-11H2,1H3,(H2,22,31)(H,24,29)(H,27,28)