(4-{2-[({3-[(2-Methyl-1,3-Benzothiazol-6-Yl)Amino]-3-Oxopropyl}Carbamoyl)Amino]Ethyl}Benzyl)Malonic Acid

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Formula C24H26N4O6S
IUPAC Name 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxo-propyl]carbamoylamino]ethyl]phenyl]methyl]propanedioic acid
Molecular Mass 498.551 g·mol−1
Heat of Formation -929.5 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 574.35 Å 3
Surface Area 513.18 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
InChIKey GADNEHRFYQNKCC-UHFFFAOYSA-N
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