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

Molecule SVG Image

Properties Simple | Detailed

Formula C30H37N9O13
IUPAC Name (2s)-2-[[(4s)-4-[[(4s)-4-[[4-[[(6s)-2-amino-5-formyl-4-oxo-7,8-dihydro-6h-pteridin-3-ium-4a-ylium-6-yl]methylamino]benzoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid
Molecular Mass 731.667 g·mol−1
Heat of Formation -2259.0 ± 16.7 kJ·mol−1
Dipole Moment 12.24 ± 1.08 D
Volume 824.08 Å 3
Surface Area 704.92 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(4s)-4-[[(4s)-4-[[4-[[(6s)-2-amino-5-formyl-4-keto-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]glutaric acid
  • (2s)-2-[[(4s)-4-[[(4s)-4-[[4-[[(6s)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid
  • (2s)-2-[[(4s)-4-[[(4s)-4-[[4-[[(6s)-2-amino-5-methanoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid
  • (2s)-2-[[(4s)-4-[[(4s)-4-[[[4-[[(6s)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]pentanedioic acid
  • 2-[4-(4-{4-[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-carboxy-butyrylamino)-4-carboxy-butyrylamino]-pentanedioic acid
  • tgf
  • triglu-5-formyl-tetrahydrofolate
InChIKey ZLOMJLIQXBKNHU-VJANTYMQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N