N-(4-{[(2-Amino-4-Oxo-1,4-Dihydro[1]Benzothieno[2,3-D]Pyrimidin-5-Yl)Methyl]Amino}Benzoyl)-L-Glutamic Acid

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Formula C23H21N5O6S+
IUPAC Name (2s)-2-[[4-[(2-amino-4-oxo-3h-[1]benzothiolo[2,3-d]pyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 495.508 g·mol−1
Heat of Formation -811.3 ± 16.7 kJ·mol−1
Dipole Moment 6.91 ± 1.08 D
Volume 541.53 Å 3
Surface Area 474.0 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey GLRZVZIDWYADTN-AWEZNQCLSA-N
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