N-{4-[(2R)-1-(2,4-Diamino-6-Pteridinyl)-2-Propanyl]Benzoyl}-L-Glutamic Acid

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Formula C21H23N7O5
IUPAC Name (2s)-2-[[4-[(1r)-2-(2,4-diaminopteridin-6-yl)-1-methyl-ethyl]benzoyl]amino]pentanedioic acid
Molecular Mass 453.451 g·mol−1
Heat of Formation -635.7 ± 16.7 kJ·mol−1
Dipole Moment 0.91 ± 1.08 D
Volume 537.09 Å 3
Surface Area 431.01 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
InChIKey MQISJAZESFPIPJ-YGRLFVJLSA-N
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