N-(1-Cyclohexyl-4-Nitro-2-Oxo-2,5-Dihydro-1H-Pyrrol-3-Yl)-L-Phenylalanine

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Properties Simple | Detailed

Formula C19H23N3O5
IUPAC Name (2s)-2-[(1-cyclohexyl-3-nitro-5-oxo-2h-pyrrol-4-yl)amino]-3-phenyl-propanoic acid
Molecular Mass 373.403 g·mol−1
Heat of Formation -499.1 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 440.05 Å 3
Surface Area 370.3 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(1-cyclohexyl-2-keto-4-nitro-3-pyrrolin-3-yl)amino]-3-phenyl-propionic acid
  • (2s)-2-[(1-cyclohexyl-4-nitro-2-oxo-5h-pyrrol-3-yl)amino]-3-phenyl-propanoic acid
  • (2s)-2-[(1-cyclohexyl-4-nitro-2-oxo-5h-pyrrol-3-yl)amino]-3-phenylpropanoic acid
  • n-(1-cyclohexyl-2,5-dihydro-4-nitro-2-oxo-1h-pyrrol-3-yl)-l-phenylalanine
  • n-(4-nitro-1-cyclohexyl-2-oxo-3-pyrrolin-3-yl)-l-phenylalanine
  • n-(4-nitro-1-cyclohexyl-2-oxo-3-pyrrolin-3-yl)phenylalanine
  • nopy-l-phenylalanine
CAS Number(s)
  • 52555-26-7
InChIKey DRIAKBPJKXZIJI-HNNXBMFYSA-N
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