4-[({4-[(2-Carboxy-2-Propanyl)Oxy]-7-Methyl-2-Quinolinyl}Carbonyl)Amino]-5-[4-(Ethoxycarbonyl)-1-Piperazinyl]-5-Oxopentanoic Acid

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Properties Simple | Detailed

Formula C27H34N4O9
IUPAC Name (4s)-4-[[4-(1-carboxy-1-methyl-ethoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid
Molecular Mass 558.580 g·mol−1
Heat of Formation -1530.9 ± 16.7 kJ·mol−1
Dipole Moment 8.32 ± 1.08 D
Volume 650.35 Å 3
Surface Area 542.44 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
InChIKey MCBLPJPMVOVJCO-SFHVURJKSA-N
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