5-[4-ethoxycarbonyl-2-(2-methylpropyl)piperazin-1-yl]-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-ethoxycarbonyl-2-(2-methylpropyl)piperazin-1-yl]-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-ethoxycarbonyl-2-isobutyl-piperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[4-ethoxycarbonyl-2-(2-methylpropyl)-1-piperazinyl]-4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[4-ethoxycarbonyl-2-(2-methylpropyl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxy-2-isobutyl-piperazino)-5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]valeric acid Formula: C27H36N4O7 MolecularWeight: 528.59734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(C(C1)CC(C)C)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OC

Isomeric SMILES

CCOC(=O)N1CCN(C(C1)CC(C)C)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OC

InChI

InChI=1S/C27H36N4O7/c1-5-38-27(36)30-12-13-31(18(16-30)14-17(2)3)26(35)21(10-11-24(32)33)29-25(34)22-15-23(37-4)19-8-6-7-9-20(19)28-22/h6-9,15,17-18,21H,5,10-14,16H2,1-4H3,(H,29,34)(H,32,33)