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

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Formula C20H31N3O8S
IUPAC Name (5r,6r)-3-[2-[3-[[(2r)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-[(1s)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 473.540 g·mol−1
Heat of Formation -1452.4 ± 16.7 kJ·mol−1
Dipole Moment 7.80 ± 1.08 D
Volume 562.24 Å 3
Surface Area 389.19 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
InChIKey HNLNYXRYILRJHY-VAECKANCSA-N
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