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

Systemtic Name: 4-[[4-(carboxymethylcarbamoyl)quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-(carboxymethylcarbamoyl)quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[[4-[(carboxymethylamino)-oxomethyl]-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[[4-(carboxymethylcarbamoyl)quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[4-(carboxymethylcarbamoyl)quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C25H29N5O9 MolecularWeight: 543.52586

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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)C(=O)NCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O9/c1-2-39-25(38)30-11-9-29(10-12-30)24(37)18(7-8-20(31)32)28-23(36)19-13-16(22(35)26-14-21(33)34)15-5-3-4-6-17(15)27-19/h3-6,13,18H,2,7-12,14H2,1H3,(H,26,35)(H,28,36)(H,31,32)(H,33,34)