L-Valyl-4-[(3S,5S)-7-Oxo-4-Oxa-1-Azabicyclo[3.2.0]Hept-3-Yl]Threonine

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Properties Simple | Detailed

Formula C14H23N3O6
IUPAC Name (2s,3r)-2-[[(2s)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-4-[(3s,5r)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]butanoic acid
Molecular Mass 329.349 g·mol−1
Heat of Formation -1067.7 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 390.8 Å 3
Surface Area 330.04 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
InChIKey YCGXMNQNHBKSKZ-NDTZHAIFSA-N
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