(4R)-4-(Aminomethyl)-N-[(2R)-1-Oxo-4-Phenyl-1-(6-Quinolinylamino)-2-Butanyl]-D-Prolinamide

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Formula C25H29N5O2
IUPAC Name (2r,4r)-4-(aminomethyl)-n-[(1r)-3-phenyl-1-(6-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide
Molecular Mass 431.530 g·mol−1
Heat of Formation -60.6 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 534.82 Å 3
Surface Area 465.77 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4r)-4-(aminomethyl)-n-[(1r)-1-[oxo-(6-quinolylamino)methyl]-3-phenylpropyl]-2-pyrrolidinecarboxamide
  • (2r,4r)-4-(aminomethyl)-n-[(1r)-3-phenyl-1-(6-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide
  • (2r,4r)-4-(aminomethyl)-n-[(2r)-1-oxo-4-phenyl-1-(quinolin-6-ylamino)butan-2-yl]pyrrolidine-2-carboxamide
  • mc-04124
InChIKey MWHIVLDZWWNQPL-SXSPYAJSSA-N
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