D-γ-Glutamyl-N-(3-Methoxy-2-Methyl-4-Oxo-1-Sulfo-3-Azetidinyl)-D-Alaninamide

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Properties Simple | Detailed

Formula C13H22N4O9S
IUPAC Name (2s)-2-amino-5-[[(1s)-2-[[(2r,3r)-3-methoxy-2-methyl-4-oxo-1-sulfo-azetidin-3-yl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 410.400 g·mol−1
Heat of Formation -1572.2 ± 16.7 kJ·mol−1
Dipole Moment 5.81 ± 1.08 D
Volume 457.66 Å 3
Surface Area 392.36 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey KBXJJUKRJUEIMJ-HYIKZEKZSA-N
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