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

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Properties Simple | Detailed

Formula C17H23BrN4O8S
IUPAC Name (2s)-2-amino-5-[[(1r)-1-[[(r)-(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 -1254.1 ± 16.7 kJ·mol−1
Dipole Moment 0.72 ± 1.08 D
Volume 537.14 Å 3
Surface Area 437.58 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey OGZMPQOWGQBWAV-NVGCLXPQSA-N
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Elements C H O N S Br