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

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Properties Simple | Detailed

Formula C29H37N9O12+
IUPAC Name (2s)-2-[[(4s)-4-[[(4s)-4-[[4-[[(6s)-2-amino-4-oxo-5,6,7,8-tetrahydropteridin-3-ium-4a-ylium-6-yl]methylamino]benzoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid
Molecular Mass 703.657 g·mol−1
Heat of Formation -2091.5 ± 16.7 kJ·mol−1
Dipole Moment 8.81 ± 1.08 D
Volume 790.62 Å 3
Surface Area 687.53 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(4s)-4-[[(4s)-4-[[4-[[(6s)-2-amino-4-keto-5,6,7,8-tetrahydro-1h-pteridin-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-4-oxo-5,6,7,8-tetrahydro-1h-pteridin-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-4-oxo-5,6,7,8-tetrahydro-1h-pteridin-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-4-oxo-5,6,7,8-tetrahydro-1h-pteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]pentanedioic acid
  • n-{[4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
  • tetrahydropteroyltri-l-glutamate
  • tetrahydropteroyltri-l-glutamic acid
InChIKey RXWVHRYZTWZATH-XSLAGTTESA-N
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