L-α-Glutamyl-S-(2-Bromo-2-Chloro-1,1-Difluoroethyl)-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C12H17BrClF2N3O6S
IUPAC Name (4s)-4-amino-5-[[(1r)-1-[[(2r)-2-bromo-2-chloro-1,1-difluoro-ethyl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 484.699 g·mol−1
Heat of Formation -1549.7 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 459.43 Å 3
Surface Area 380.12 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
InChIKey OTVNACHPZVGLNB-BVMVBECYSA-N
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Elements C F H Cl O N S Br