N-({(1S)-5-[Acetyl(4-Bromobenzyl)Amino]-1-Carboxypentyl}Carbamoyl)-L-Glutamic Acid

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Formula C21H28BrN3O8
IUPAC Name (2s)-2-[[(1s)-5-[acetyl-[(4-bromophenyl)methyl]amino]-1-carboxy-pentyl]carbamoylamino]pentanedioic acid
Molecular Mass 530.366 g·mol−1
Heat of Formation -1523.1 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 578.12 Å 3
Surface Area 506.95 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
InChIKey ARLQMQGVVFXZCW-IRXDYDNUSA-N
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Elements H C Br O N