N'-{(2S,3S,5R)-3-Amino-6-[(4-Fluorophenyl)Amino]-5-Methyl-6-Oxo-1-Phenyl-2-Hexanyl}-N,N-Dipropylisophthalamide

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Properties Simple | Detailed

Formula C33H41FN4O3
IUPAC Name n1-[(1s,2s,4r)-2-amino-1-benzyl-5-(4-fluoroanilino)-4-methyl-5-oxo-pentyl]-n3,n3-dipropyl-benzene-1,3-dicarboxamide
Molecular Mass 560.702 g·mol−1
Heat of Formation -641.2 ± 16.7 kJ·mol−1
Dipole Moment 8.25 ± 1.08 D
Volume 718.01 Å 3
Surface Area 561.65 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • frp
  • n-[(1s,2s,4r)-2-amino-1-(benzyl)-5-[(4-fluorophenyl)amino]-5-keto-4-methyl-pentyl]-n',n'-dipropyl-isophthalamide
  • n-[(1s,2s,4r)-2-amino-5-[(4-fluorophenyl)amino]-4-methyl-5-oxo-1-(phenylmethyl)pentyl]-n',n'-dipropyl-benzene-1,3-dicarboxamide
  • n-[(1s,2s,4r)-2-amino-5-[(4-fluorophenyl)amino]-4-methyl-5-oxo-1-(phenylmethyl)pentyl]-n',n'-dipropylbenzene-1,3-dicarboxamide
  • n-[(2s,3s,5r)-3-amino-6-[(4-fluorophenyl)amino]-5-methyl-6-oxo-1-phenyl-hexan-2-yl]-n',n'-dipropyl-benzene-1,3-dicarboxamide
InChIKey PZHFCAIXAVDQAK-STQWGSIPSA-N
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