(2S)-2-({[(1R)-1-({N-[(Benzyloxy)Carbonyl]-L-Phenylalanyl}Amino)-2-Methylpropyl](Hydroxy)Phosphoryl}Oxy)-3-Phenylpropanoic Acid

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Properties Simple | Detailed

Formula C30H35N2O8P
IUPAC Name (2s)-2-[[(1r)-1-[[(2s)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-methyl-propyl]-hydroxy-phosphoryl]oxy-3-phenyl-propanoic acid
Molecular Mass 582.581 g·mol−1
Heat of Formation -1514.6 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 689.65 Å 3
Surface Area 526.22 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(1r)-1-[[(2s)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-methyl-propyl]-hydroxy-phosphoryl]oxy-3-phenyl-propionic acid
  • (2s)-2-[hydroxy-[(1r)-2-methyl-1-[[(2s)-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]-3-phenylpropyl]amino]propyl]phosphoryl]oxy-3-phenylpropanoic acid
  • (2s)-2-[hydroxy-[(1r)-2-methyl-1-[[(2s)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propyl]phosphoryl]oxy-3-phenyl-propanoic acid
  • (2s)-2-[hydroxy-[(1r)-2-methyl-1-[[(2s)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propyl]phosphoryl]oxy-3-phenylpropanoic acid
  • fvf
InChIKey NXIYKBRAJXXOLO-UNCTUWKVSA-N
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