N-[(4-{[(2-Amino-4-Oxo-1,4-Dihydro-6-Quinazolinyl)(Dihydroxy)-Lambda~4~-Sulfanyl]Amino}Phenyl)(Hydroxy)Methyl]-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H23N5O8S
IUPAC Name (2s)-2-[[(s)-[4-[[(2-amino-4-oxo-1h-quinazolin-6-yl)-dihydroxy-$l^{4}-sulfanyl]amino]phenyl]-hydroxymethyl]amino]pentanedioic acid
Molecular Mass 493.490 g·mol−1
Heat of Formation -1174.9 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 531.28 Å 3
Surface Area 467.38 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey JWYUKMCUDBSRPA-RDJZCZTQSA-N
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