5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[7-methyl-4-(1-oxidanyl-1-oxidanylidene-butan-2-yl)oxy-quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[7-methyl-4-(1-oxidanyl-1-oxidanylidene-butan-2-yl)oxy-quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-(1-carboxypropoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[4-(1-hydroxy-1-oxobutan-2-yl)oxy-7-methyl-2-quinolinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-hydroxy-1-oxobutan-2-yl)oxy-7-methylquinoline-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[4-(1-carboxypropoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C27H34N4O9 MolecularWeight: 558.58026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC(=NC2=C1C=CC(=C2)C)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC(C(=O)O)OC1=CC(=NC2=C1C=CC(=C2)C)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C27H34N4O9/c1-4-21(26(36)37)40-22-15-20(28-19-14-16(3)6-7-17(19)22)24(34)29-18(8-9-23(32)33)25(35)30-10-12-31(13-11-30)27(38)39-5-2/h6-7,14-15,18,21H,4-5,8-13H2,1-3H3,(H,29,34)(H,32,33)(H,36,37)