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

Systemtic Name: 4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-5-(4-piperidin-4-ylcarbonylpiperazin-1-yl)pentanoic acid Openeye Name: 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-5-[4-(piperidine-4-carbonyl)piperazin-1-yl]pentanoic acid CAS Name: 4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxo-5-[4-[oxo(4-piperidinyl)methyl]-1-piperazinyl]pentanoic acid IUPAC Name: 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-5-[4-(piperidine-4-carbonyl)piperazin-1-yl]pentanoic acid Traditional Name: 5-(4-isonipecotoylpiperazino)-5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]valeric acid Formula: C26H33N5O6 MolecularWeight: 511.57012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C(=O)C4CCNCC4

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C(=O)C4CCNCC4

InChI

InChI=1S/C26H33N5O6/c1-37-22-16-21(28-19-5-3-2-4-18(19)22)24(34)29-20(6-7-23(32)33)26(36)31-14-12-30(13-15-31)25(35)17-8-10-27-11-9-17/h2-5,16-17,20,27H,6-15H2,1H3,(H,29,34)(H,32,33)