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

Systemtic Name: 5-[4-ethoxycarbonyl-3-(1-hydroxyethyl)piperazin-1-yl]-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-ethoxycarbonyl-3-(1-hydroxyethyl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[4-ethoxycarbonyl-3-(1-hydroxyethyl)-1-piperazinyl]-4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[4-ethoxycarbonyl-3-(1-hydroxyethyl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-[4-carbethoxy-3-(1-hydroxyethyl)piperazino]-5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]valeric acid Formula: C25H32N4O8 MolecularWeight: 516.54358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O8/c1-4-37-25(35)29-12-11-28(14-20(29)15(2)30)24(34)18(9-10-22(31)32)27-23(33)19-13-21(36-3)16-7-5-6-8-17(16)26-19/h5-8,13,15,18,20,30H,4,9-12,14H2,1-3H3,(H,27,33)(H,31,32)