γ-Glutamyl-S-[(5Alpha,6Alpha)-3,6-Dihydroxy-17-Methyl-7,8-Didehydro-4,5-Epoxymorphinan-10-Yl]Cysteinylglycine

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Formula C27H34N4O9S
IUPAC Name (2r)-5-[[(1r)-1-[[(3s,4s,4ar,7s,7ar,12bs,13s)-7,9-dihydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-13-yl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid
Molecular Mass 590.645 g·mol−1
Heat of Formation -1436.8 ± 16.7 kJ·mol−1
Dipole Moment 6.66 ± 1.08 D
Volume 671.01 Å 3
Surface Area 524.66 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
InChIKey AJFKORMGLWPZQJ-QMCINPDXSA-N
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