5-(4-ethoxycarbonyl-3-propan-2-yl-piperazin-1-yl)-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonyl-3-propan-2-yl-piperazin-1-yl)-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-ethoxycarbonyl-3-isopropyl-piperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-3-propan-2-yl-1-piperazinyl)-4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonyl-3-propan-2-ylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxy-3-isopropyl-piperazino)-5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]valeric acid Formula: C26H34N4O7 MolecularWeight: 514.57076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1C(C)C)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1C(C)C)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OC

InChI

InChI=1S/C26H34N4O7/c1-5-37-26(35)30-13-12-29(15-21(30)16(2)3)25(34)19(10-11-23(31)32)28-24(33)20-14-22(36-4)17-8-6-7-9-18(17)27-20/h6-9,14,16,19,21H,5,10-13,15H2,1-4H3,(H,28,33)(H,31,32)