N-(4-{[(2-Amino-4-Oxo-3,4-Dihydro-6-Pteridinyl)Methyl]Amino}Benzoyl)-L-γ-Glutamyl-L-γ-Glutamyl-L-γ-Glutamyl-L-Glutamic Acid

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Properties Simple | Detailed

Formula C34H40N10O15+
IUPAC Name (2s)-2-[[(4s)-4-[[(4s)-4-[[(4s)-4-[[4-[(2-amino-4-oxo-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid
Molecular Mass 828.739 g·mol−1
Heat of Formation -2519.1 ± 16.7 kJ·mol−1
Dipole Moment 9.52 ± 1.08 D
Volume 928.66 Å 3
Surface Area 817.22 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
InChIKey YMUKRFYNHZWDBN-TUFLPTIASA-N
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