N-[4-({[(6R)-2-Amino-5-Methyl-4-Oxo-1,4,5,6,7,8-Hexahydro-6-Pteridinyl]Methyl}Amino)Benzoyl]-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H26N7O6+
IUPAC Name (2s)-2-[[4-[[(5r,6r)-2-amino-5-methyl-4-oxo-7,8-dihydro-6h-pteridin-1-ium-3-id-6-yl]methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 460.464 g·mol−1
Heat of Formation -826.2 ± 16.7 kJ·mol−1
Dipole Moment 9.76 ± 1.08 D
Volume 519.48 Å 3
Surface Area 459.87 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(6r)-2-amino-4-keto-5-methyl-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[(6r)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[(6r)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[(6r)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
InChIKey ZNOVTXRBGFNYRX-OLZOCXBDSA-N
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