(3S)-2-[(3R)-3-Amino-4-(2-Fluorophenyl)Butanoyl]-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxamide

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Formula C20H22FN3O2
IUPAC Name (3s)-2-[(3r)-3-amino-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1h-isoquinoline-3-carboxamide
Molecular Mass 355.406 g·mol−1
Heat of Formation -385.6 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 421.46 Å 3
Surface Area 368.65 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-2-[(3r)-3-amino-4-(2-fluorophenyl)-1-oxobutyl]-3,4-dihydro-1h-isoquinoline-3-carboxamide
  • (3s)-2-[(3r)-3-amino-4-(2-fluorophenyl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
  • (3s)-2-[(3r)-3-amino-4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1h-isoquinoline-3-carboxamide
  • (s)-2-[(r)-3-amino-4-(2-fluoro-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide
  • (s)-2-[(r)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
InChIKey OEVYDSSAPNIURZ-AEFFLSMTSA-N
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