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

Systemtic Name: 4-[[4-(1-cyclohexyl-2-oxidanyl-2-oxidanylidene-ethoxy)-7-methyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-(1-cyclohexyl-2-hydroxy-2-oxo-ethoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[[4-(1-cyclohexyl-2-hydroxy-2-oxoethoxy)-7-methyl-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[[4-(1-cyclohexyl-2-hydroxy-2-oxoethoxy)-7-methylquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[4-(1-cyclohexyl-2-hydroxy-2-keto-ethoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C31H40N4O9 MolecularWeight: 612.6707

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=C(C=CC(=C3)C)C(=C2)OC(C4CCCCC4)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=C(C=CC(=C3)C)C(=C2)OC(C4CCCCC4)C(=O)O

InChI

InChI=1S/C31H40N4O9/c1-3-43-31(42)35-15-13-34(14-16-35)29(39)22(11-12-26(36)37)33-28(38)24-18-25(21-10-9-19(2)17-23(21)32-24)44-27(30(40)41)20-7-5-4-6-8-20/h9-10,17-18,20,22,27H,3-8,11-16H2,1-2H3,(H,33,38)(H,36,37)(H,40,41)