(2S,3S,5R,6R)-3-{[2-({N-[(2R)-2,4-Dihydroxy-3,3-Dimethylbutanoyl]-β-Alanyl}Amino)Ethyl]Sulfanyl}-6-(2-Hydroxy-2-Propanyl)-7-Oxo-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid

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Formula C21H35N3O8S
IUPAC Name (2s,3s,5r,6r)-3-[2-[3-[[(2r)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 489.583 g·mol−1
Heat of Formation -1574.2 ± 16.7 kJ·mol−1
Dipole Moment 7.41 ± 1.08 D
Volume 597.85 Å 3
Surface Area 424.05 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
InChIKey NSMABMGRXUKVDE-IVCRCZCHSA-N
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