N-(4-{[(2,5-Diamino-6-Oxo-3,6-Dihydro-4-Pyrimidinyl)Carbamoyl]Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C17H19N7O7
IUPAC Name (2s)-2-[[4-[(2,5-diamino-6-hydroxy-pyrimidin-4-yl)carbamoylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 433.375 g·mol−1
Heat of Formation -1062.8 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 474.5 Å 3
Surface Area 430.78 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,5-diamino-6-keto-3h-pyrimidin-4-yl)carbamoylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2,5-diamino-6-oxo-3h-pyrimidin-4-yl)carbamoylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,5-diamino-6-oxo-3h-pyrimidin-4-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[[(2,5-diamino-6-oxo-3h-pyrimidin-4-yl)amino]-oxomethyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid
  • [[n'-(2,5-diamino-6-hydroxy-pyrimidin-4-yl)-ureayl]-phen-4-yl]-carbonyl-glutamic acid
  • l37
  • ly374571
InChIKey SZHRIPFGZWWRKW-VIFPVBQESA-N
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