3-(6-Fluoro-1H-Benzimidazol-2-Yl)-N-2-Naphthoyl-D-Alanine

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Properties Simple | Detailed

Formula C21H16FN3O3
IUPAC Name (2r)-3-(6-fluoro-1h-benzimidazol-2-yl)-2-(naphthalene-2-carbonylamino)propanoic acid
Molecular Mass 377.368 g·mol−1
Heat of Formation -371.3 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 427.83 Å 3
Surface Area 379.15 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-(6-fluoro-1h-benzimidazol-2-yl)-2-(naphthalen-2-ylcarbonylamino)propanoic acid
  • (2r)-3-(6-fluoro-1h-benzimidazol-2-yl)-2-(naphthalene-2-carbonylamino)propanoic acid
  • (2r)-3-(6-fluoro-1h-benzimidazol-2-yl)-2-(naphthalene-2-carbonylamino)propionic acid
  • (2r)-3-(6-fluoro-1h-benzimidazol-2-yl)-2-[(2-naphthyl-oxomethyl)amino]propanoic acid
InChIKey NKMPZFCFXCJBEY-GOSISDBHSA-N
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