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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Properties Simple | Detailed

Formula C23H22N5O6S
IUPAC Name (2s)-2-[[4-[(2-amino-4-oxo-3h-benzothiopheno[2,3-d]pyrimidin-1-ium-4a-id-5-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 496.516 g·mol−1
Heat of Formation -774.9 ± 16.7 kJ·mol−1
Dipole Moment 13.76 ± 1.08 D
Volume 535.86 Å 3
Surface Area 463.07 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
InChIKey GLRZVZIDWYADTN-AWEZNQCLSA-O
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