N-Acetyl-O-Phosphono-L-Tyrosyl-N-[(2R)-1-Amino-4-Cyclohexyl-1-Oxo-2-Butanyl]-L-α-Glutamine

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Properties Simple | Detailed

Formula C26H39N4O10P
IUPAC Name (4s)-4-[[(2s)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(1r)-1-carbamoyl-3-cyclohexyl-propyl]amino]-5-oxo-pentanoic acid
Molecular Mass 598.582 g·mol−1
Heat of Formation -2289.3 ± 16.7 kJ·mol−1
Dipole Moment 7.72 ± 1.08 D
Volume 695.38 Å 3
Surface Area 591.18 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-[[(2s)-2-acetamido-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-5-[[(1r)-1-carbamoyl-3-cyclohexylpropyl]amino]-5-oxopentanoic acid
  • (4s)-4-[[(2s)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(1r)-1-carbamoyl-3-cyclohexyl-propyl]amino]-5-keto-valeric acid
  • (4s)-4-[[(2s)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(1r)-1-carbamoyl-3-cyclohexyl-propyl]amino]-5-oxo-pentanoic acid
  • (4s)-4-[[(2s)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(2r)-1-amino-4-cyclohexyl-1-oxo-butan-2-yl]amino]-5-oxo-pentanoic acid
  • (4s)-4-[[(2s)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(2r)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
  • 1c5
  • [[o-phosphono-n-acetyl-tyrosinyl]-glutamyl-3[cyclohexylmethyl]alaninyl]-amine
InChIKey MYZLOAXXVDGNMQ-FSSWDIPSSA-N
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