(Z)-{(2R)-2-Benzyl-2-[(2S,3S)-2-Hydroxy-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-Phenylbutyl]-2-Methyldiazan-2-Ium-1-Ylidene}(Phenyl)Methanolate

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Properties Simple | Detailed

Formula C30H38N3O4+
IUPAC Name benzoyl-[(r)-benzyl-[(2s,3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]-methyl-ammonio]azanide
Molecular Mass 504.640 g·mol−1
Heat of Formation 1295.8 ± 16.7 kJ·mol−1
Dipole Moment 12.72 ± 1.08 D
Volume 628.87 Å 3
Surface Area 499.19 Å 2
HOMO Energy -5.72 ± 0.55 eV
LUMO Energy -4.39 ± eV
Point Group Symmetry C1
InChIKey KTCIZECZUWZDHY-ZTMGNVKNSA-N
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