Nalpha-{(2S)-3-[Hydroxy(Phenyl)Phosphoryl]-2-[(3-Phenyl-1,2-Oxazol-5-Yl)Methyl]Propanoyl}-L-Tryptophanamide

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Properties Simple | Detailed

Formula C30H29N4O5P
IUPAC Name [(2s)-3-[[(1s)-2-amino-1-(indol-1-ium-3-id-3-ylmethyl)-2-oxo-ethyl]amino]-3-oxo-2-[(3-phenylisoxazol-5-yl)methyl]propyl]-phenyl-phosphinic acid
Molecular Mass 556.549 g·mol−1
Heat of Formation -522.6 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 659.77 Å 3
Surface Area 488.09 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 5mr
  • [(2s)-3-[[(1s)-2-amino-1-(1h-indol-3-ylmethyl)-2-keto-ethyl]amino]-3-keto-2-[(3-phenylisoxazol-5-yl)methyl]propyl]-phenyl-phosphinic acid
  • [(2s)-3-[[(1s)-2-amino-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]amino]-3-oxo-2-[(3-phenylisoxazol-5-yl)methyl]propyl]-phenyl-phosphinic acid
  • [(2s)-3-[[(1s)-2-amino-1-(1h-indol-3-ylmethyl)-2-oxoethyl]amino]-3-oxo-2-[(3-phenyl-5-isoxazolyl)methyl]propyl]-phenylphosphinic acid
  • [(2s)-3-[[(2s)-1-amino-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]amino]-3-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propyl]-phenyl-phosphinic acid
  • [(2s)-3-[[(2s)-1-amino-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propyl]-phenylphosphinic acid
InChIKey NVKXUGMYWINPEL-DFHRPNOPSA-N
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