3'-[(2S,4R)-6-Carbamimidoyl-4-Methyl-4-Phenyl-1,2,3,4-Tetrahydro-2-Quinolinyl]-4-Carbamoyl-5'-[(3-Methylbutanoyl)Amino]-2-Biphenylcarboxylic Acid

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Properties Simple | Detailed

Formula C36H37N5O4
IUPAC Name 2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]-5-(3-methylbutanoylamino)phenyl]-5-carbamoyl-benzoic acid
Molecular Mass 603.710 g·mol−1
Heat of Formation -411.5 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 735.36 Å 3
Surface Area 601.67 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
InChIKey PDUMJXCNOKHQKH-SVXHESJVSA-N
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