L-γ-Glutamyl-S-{[(4-Bromophenyl)(Hydroxy)Amino](Hydroxy)Methyl}-L-Cysteinylglycine

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Properties Simple | Detailed

Formula C17H23BrN4O8S
IUPAC Name (2s)-2-amino-5-[[(1r)-1-[[(s)-(4-bromo-n-hydroxy-anilino)-hydroxy-methyl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 523.356 g·mol−1
Heat of Formation -1311.2 ± 16.7 kJ·mol−1
Dipole Moment 8.81 ± 1.08 D
Volume 537.52 Å 3
Surface Area 401.26 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey OGZMPQOWGQBWAV-PRXAMGSTSA-N
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Elements C H O N S Br