N-(4-Fluorobenzoyl)-L-γ-Glutamyl-O-[(S)-{[(1S)-1,3-Dicarboxypropyl]Amino}(Hydroxy)Phosphoryl]-L-Serine

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Properties Simple | Detailed

Formula C20H25FN3O13P
IUPAC Name (2s)-2-[[[(2s)-2-carboxy-2-[[(4s)-4-carboxy-4-[(4-fluorobenzoyl)amino]butanoyl]amino]ethoxy]-hydroxy-phosphoryl]amino]pentanedioic acid
Molecular Mass 565.397 g·mol−1
Heat of Formation -2838.1 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 614.78 Å 3
Surface Area 514.67 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey MVGKQICKXWWQHS-IHRRRGAJSA-N
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