N-{[(1S)-5-{[2-(2-Acetamidoethoxy)-4-Bromobenzoyl]Amino}-1-Carboxypentyl]Carbamoyl}-L-Glutamic Acid

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Formula C23H31BrN4O10
IUPAC Name (2s)-2-[[(1s)-5-[[2-(2-acetamidoethoxy)-4-bromo-benzoyl]amino]-1-carboxy-pentyl]carbamoylamino]pentanedioic acid
Molecular Mass 603.417 g·mol−1
Heat of Formation -1874.8 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 653.71 Å 3
Surface Area 581.73 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey GEZLVAJRFLXCLD-IRXDYDNUSA-N
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Elements H C Br O N