6-Amino-2-[(1S)-3-Amino-1-{[(2S)-3-Amino-2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-3-Oxopropyl]Amino}-3-Oxopropyl]-5-Methyl-4-Pyrimidinecarboxylic Acid

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Properties Simple | Detailed

Formula C17H27N7O6
IUPAC Name 6-amino-2-[(1s)-3-amino-1-[[(2s)-3-amino-2-(tert-butoxycarbonylamino)-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carboxylic acid
Molecular Mass 425.440 g·mol−1
Heat of Formation -1061.7 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 506.65 Å 3
Surface Area 438.88 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 6-amino-2-[(1s)-3-amino-1-[[(2s)-3-amino-2-(tert-butoxycarbonylamino)-3-keto-propyl]amino]-3-keto-propyl]-5-methyl-pyrimidine-4-carboxylic acid
  • 6-amino-2-[(1s)-3-amino-1-[[(2s)-3-amino-2-(tert-butoxycarbonylamino)-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carboxylic acid
  • 6-amino-2-[(1s)-3-amino-1-[[(2s)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carboxylic acid
  • 6-amino-2-[(1s)-3-amino-1-[[(2s)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carboxylic acid
  • 6-amino-2-[(1s)-3-amino-1-[[(2s)-3-amino-2-[(tert-butoxy-oxomethyl)amino]-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinecarboxylic acid
InChIKey XVCYESGSBIEXAS-IUCAKERBSA-N
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