2-({4-Carboxy-4-[(4-{[(2,4-Diamino-6-Pteridinyl)Methyl]Amino}Benzoyl)Amino]Butyl}Carbamoyl)Benzoic Acid

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Formula C27H27N9O6
IUPAC Name 2-[[(4r)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
Molecular Mass 573.560 g·mol−1
Heat of Formation -607.9 ± 16.7 kJ·mol−1
Dipole Moment 9.40 ± 1.08 D
Volume 651.26 Å 3
Surface Area 557.47 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
InChIKey NYQPLPNEESYGNO-LJQANCHMSA-N
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