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

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Properties Simple | Detailed

Formula C20H23N7O7
IUPAC Name carbon dioxide; carbononitridic isocyanate; 4-[[(3s)-4-formyl-6-imino-2,3-dihydro-1h-pyrazin-3-yl]methylamino]-n-[(3r)-2-oxo-3,4-dihydrofuran-3-yl]benzamide
Molecular Mass 473.439 g·mol−1
Heat of Formation -1013.3 ± 16.7 kJ·mol−1
Dipole Moment 10.67 ± 1.08 D
Volume 524.1 Å 3
Surface Area 458.99 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[4-[[(6s)-2-amino-5-formyl-4-keto-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid
  • (2r)-2-[[4-[[(6s)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
  • (2r)-2-[[4-[[(6s)-2-amino-5-methanoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2r)-2-[[[4-[[(6s)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
InChIKey VVIAGPKUTFNRDU-QWHCGFSZSA-N
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