(4S)-4-[(Z)-{(4S)-4-[(4-{[(2-Amino-4-Oxido-6-Pteridinyl)Methyl]Amino}Benzoyl)Amino]-4-Carboxy-1-Oxidanidylbutylidene}Amino]-4-Carboxybutanoate

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Properties Simple | Detailed

Formula C24H26N8O9+
IUPAC Name (2s)-2-[[(4s)-4-[[4-[(2-amino-4-oxo-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid
Molecular Mass 570.511 g·mol−1
Heat of Formation -1331.2 ± 16.7 kJ·mol−1
Dipole Moment 8.51 ± 1.08 D
Volume 633.95 Å 3
Surface Area 569.53 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
InChIKey SDUHYPXROSSGGK-GJZGRUSLSA-N
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