(3R)-N-(2-Formyl-3-Indolizinyl)-4-(2-Phenylacetoxy)-3-Sulfino-D-Valine

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Formula C22H31N2O7S+
IUPAC Name (2s,3r)-2-[(2-formyl-5,6,7,8-tetrahydro-1h-indolizine-1,2,3,5,6,7,8,8a-octaid-3-yl)amino]-3-[(r)-hydroxysulfinyl]-3-methyl-4-(2-phenylacetyl)oxy-butanoic acid
Molecular Mass 467.556 g·mol−1
Heat of Formation -930.4 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 506.27 Å 3
Surface Area 414.5 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey WQTYZCOJEVFYJF-UGKGYDQZSA-N
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