5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[[4-(oxiran-2-ylmethoxy)quinolin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[[4-(oxiran-2-ylmethoxy)quinolin-2-yl]carbonylamino]pentanoic acid Openeye Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(oxiran-2-ylmethoxy)quinoline-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[4-(2-oxiranylmethoxy)-2-quinolinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(oxiran-2-ylmethoxy)quinoline-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[(4-glycidoxyquinoline-2-carbonyl)amino]-5-keto-valeric acid Formula: C25H30N4O8 MolecularWeight: 514.5277

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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)OCC4CO4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OCC4CO4

InChI

InChI=1S/C25H30N4O8/c1-2-35-25(34)29-11-9-28(10-12-29)24(33)19(7-8-22(30)31)27-23(32)20-13-21(37-15-16-14-36-16)17-5-3-4-6-18(17)26-20/h3-6,13,16,19H,2,7-12,14-15H2,1H3,(H,27,32)(H,30,31)