5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyquinolin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyquinolin-2-yl]carbonylamino]pentanoic acid Openeye Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(2-hydroxy-1-methyl-2-oxo-ethoxy)quinoline-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[4-(1-hydroxy-1-oxopropan-2-yl)oxy-2-quinolinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-hydroxy-1-oxopropan-2-yl)oxyquinoline-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[4-(2-hydroxy-2-keto-1-methyl-ethoxy)quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C25H30N4O9 MolecularWeight: 530.5271

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OC(C)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OC(C)C(=O)O

InChI

InChI=1S/C25H30N4O9/c1-3-37-25(36)29-12-10-28(11-13-29)23(33)18(8-9-21(30)31)27-22(32)19-14-20(38-15(2)24(34)35)16-6-4-5-7-17(16)26-19/h4-7,14-15,18H,3,8-13H2,1-2H3,(H,27,32)(H,30,31)(H,34,35)