N~2~-{(Carboxymethyl)[4-(Phosphonooxy)Benzyl]Carbamoyl}-N-(3-Cyclohexylpropyl)-N-Methyl-L-α-Glutamine

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Properties Simple | Detailed

Formula C25H38N3O10P
IUPAC Name (4s)-4-[[carboxymethyl-[(4-dihydroxyphosphoryloxyphenyl)methyl]carbamoyl]amino]-5-[3-cyclohexylpropyl(methyl)amino]-5-oxo-pentanoic acid
Molecular Mass 571.557 g·mol−1
Heat of Formation -2248.6 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 669.16 Å 3
Surface Area 565.17 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-[[[carboxymethyl-[(4-phosphonooxyphenyl)methyl]amino]-oxomethyl]amino]-5-(3-cyclohexylpropyl-methylamino)-5-oxopentanoic acid
  • (4s)-4-[[carboxymethyl-(4-phosphonooxybenzyl)carbamoyl]amino]-5-(3-cyclohexylpropyl-methyl-amino)-5-keto-valeric acid
  • (4s)-4-[[carboxymethyl-[(4-phosphonooxyphenyl)methyl]carbamoyl]amino]-5-(3-cyclohexylpropyl-methyl-amino)-5-oxo-pentanoic acid
  • (4s)-4-[[carboxymethyl-[(4-phosphonooxyphenyl)methyl]carbamoyl]amino]-5-(3-cyclohexylpropyl-methylamino)-5-oxopentanoic acid
  • 4-[3-carboxymethyl-3-(4-phosphonooxy-benzyl)-ureido]-4-[(3-cyclohexyl-propyl)-methyl-carbamoyl]butyric acid
  • ur2
InChIKey JSBQUMXQEBZYPW-NRFANRHFSA-N
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