N~2~-Acetyl-N-[(1R)-1-{[(2S)-3-{[(2S)-1-Amino-1-Oxo-2-Propanyl]Amino}-2-Methyl-3-Oxopropyl](Hydroxy)Phosphoryl}-2-Phenylethyl]-L-α-Asparagine

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Properties Simple | Detailed

Formula C21H31N4O8P
IUPAC Name (3s)-3-acetamido-4-[[(1r)-1-[[(2s)-3-[[(1s)-2-amino-1-methyl-2-oxo-ethyl]amino]-2-methyl-3-oxo-propyl]-hydroxy-phosphoryl]-2-phenyl-ethyl]amino]-4-oxo-butanoic acid
Molecular Mass 498.467 g·mol−1
Heat of Formation -1704.8 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 592.5 Å 3
Surface Area 488.08 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-acetamido-4-[[(1r)-1-[[(2s)-3-[[(1s)-2-amino-1-methyl-2-oxo-ethyl]amino]-2-methyl-3-oxo-propyl]-hydroxy-phosphoryl]-2-phenyl-ethyl]amino]-4-oxo-butanoic acid
  • (3s)-3-acetamido-4-[[(1r)-1-[[(2s)-3-[[(1s)-2-amino-1-methyl-2-oxoethyl]amino]-2-methyl-3-oxopropyl]-hydroxyphosphoryl]-2-phenylethyl]amino]-4-oxobutanoic acid
  • (3s)-3-acetamido-4-[[(1r)-1-[[(2s)-3-[[(1s)-2-amino-2-keto-1-methyl-ethyl]amino]-3-keto-2-methyl-propyl]-hydroxy-phosphoryl]-2-phenyl-ethyl]amino]-4-keto-butyric acid
  • (3s)-3-acetamido-4-[[(1r)-1-[[(2s)-3-[[(2s)-1-amino-1-oxo-propan-2-yl]amino]-2-methyl-3-oxo-propyl]-hydroxy-phosphoryl]-2-phenyl-ethyl]amino]-4-oxo-butanoic acid
  • (3s)-3-acetamido-4-[[(1r)-1-[[(2s)-3-[[(2s)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-hydroxyphosphoryl]-2-phenylethyl]amino]-4-oxobutanoic acid
InChIKey OCAZUTUOYLAIOA-OSRSDYAFSA-N
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