4-Nitro-N-{[(Phenylacetyl)Amino]Methyl}-L-Phenylalanine

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Properties Simple | Detailed

Formula C18H19N3O5
IUPAC Name (2s)-3-(4-nitrophenyl)-2-[[(2-phenylacetyl)amino]methylamino]propanoic acid
Molecular Mass 357.361 g·mol−1
Heat of Formation -446.7 ± 16.7 kJ·mol−1
Dipole Moment 7.51 ± 1.08 D
Volume 415.2 Å 3
Surface Area 346.11 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(4-nitrophenyl)-2-[(2-phenylethanoylamino)methylamino]propanoic acid
  • (2s)-3-(4-nitrophenyl)-2-[[(1-oxo-2-phenylethyl)amino]methylamino]propanoic acid
  • (2s)-3-(4-nitrophenyl)-2-[[(2-phenylacetyl)amino]methylamino]propanoic acid
  • (2s)-3-(4-nitrophenyl)-2-[[(2-phenylacetyl)amino]methylamino]propionic acid
  • a-101
  • dl-phenylalanine, 4-nitro-n-(((phenylacetyl)amino)methyl)-
  • n-phenylacetoaminomethylene-dl-p-nitrophenylalanine
CAS Number(s)
  • 70172-42-8
InChIKey MALANEHOOMRDSZ-INIZCTEOSA-N
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