N-({(1R)-1-Carboxy-2-[(4-Fluorobenzyl)Sulfanyl]Ethyl}Carbamoyl)-L-Glutamic Acid

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Formula C16H19FN2O7S
IUPAC Name (2s)-2-[[(1r)-1-carboxy-2-[(4-fluorophenyl)methylsulfanyl]ethyl]carbamoylamino]pentanedioic acid
Molecular Mass 402.395 g·mol−1
Heat of Formation -1454.4 ± 16.7 kJ·mol−1
Dipole Moment 1.41 ± 1.08 D
Volume 447.57 Å 3
Surface Area 404.31 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey IDTMSHGCAZPVLC-RYUDHWBXSA-N
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