5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[3-(2-hydroxyethylamino)-4-methyl-quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[3-(2-hydroxyethylamino)-4-methyl-quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[3-(2-hydroxyethylamino)-4-methyl-quinoline-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[3-(2-hydroxyethylamino)-4-methyl-2-quinolinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[3-(2-hydroxyethylamino)-4-methylquinoline-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[3-(2-hydroxyethylamino)-4-methyl-quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C25H33N5O7 MolecularWeight: 515.55882

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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(=C2NCCO)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2NCCO)C

InChI

InChI=1S/C25H33N5O7/c1-3-37-25(36)30-13-11-29(12-14-30)24(35)19(8-9-20(32)33)28-23(34)22-21(26-10-15-31)16(2)17-6-4-5-7-18(17)27-22/h4-7,19,26,31H,3,8-15H2,1-2H3,(H,28,34)(H,32,33)