(2S)-2-({4-[(2S)-1-(2-Amino-4-Oxo-1,4-Dihydro-6-Quinazolinyl)-3-{[2-({(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(Phosphonooxy)Methyl]Tetrahydro-2-Furanyl}Amino)-2-Oxoethyl]Amino}-2-Hydroxy-2-Propanyl]Benzoyl}Amino)Pentanedioic Acid

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Properties Simple | Detailed

Formula C30H37N6O15P
IUPAC Name (2s)-2-[[4-[(1s)-1-[(2-amino-4-hydroxy-quinazolin-6-yl)methyl]-2-[[2-[[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]amino]-2-oxo-ethyl]amino]-1-hydroxy-ethyl]benzoyl]amino]pentanedioic acid
Molecular Mass 752.620 g·mol−1
Heat of Formation -2857.2 ± 16.7 kJ·mol−1
Dipole Moment 1.33 ± 1.08 D
Volume 821.43 Å 3
Surface Area 653.55 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(1s)-1-[(2-amino-4-keto-1h-quinazolin-6-yl)methyl]-2-[[2-[[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]amino]-2-keto-ethyl]amino]-1-hydroxy-ethyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(1s)-1-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl]-2-[[2-[[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]amino]-2-oxo-ethyl]amino]-1-hydroxy-ethyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2s)-1-(2-amino-4-oxo-1h-quinazolin-6-yl)-3-[[2-[[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]amino]-2-oxo-ethyl]amino]-2-hydroxy-propan-2-yl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2s)-1-(2-amino-4-oxo-1h-quinazolin-6-yl)-3-[[2-[[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]amino]-2-oxoethyl]amino]-2-hydroxypropan-2-yl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[(1s)-1-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl]-2-[[2-[[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-tetrahydrofuranyl]amino]-2-oxoethyl]amino]-1-hydroxyethyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • n-[5'-o-phosphono-ribofuranosyl]-2-[2-hydroxy-2-[4-[glutamic acid]-n-carbonylphenyl]-3-[2-amino-4-hydroxy-quinazolin-6-yl]-propanylamino]-acetamide
InChIKey QZUCAWXKEZPFBV-PRICPSHJSA-N
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