6-({(1S)-1-(4-Hydroxyphenyl)-2-[(N~2~-Methyl-D-Asparaginyl)Amino]-2-Oxoethyl}Amino)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid

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Formula C21H27N5O7S
IUPAC Name (2r,5s,6r)-6-[[(1s)-2-[[(2s)-4-amino-2-(methylamino)-4-oxo-butanoyl]amino]-1-(4-hydroxyphenyl)-2-oxo-ethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 493.533 g·mol−1
Heat of Formation -1025.0 ± 16.7 kJ·mol−1
Dipole Moment 8.83 ± 1.08 D
Volume 574.12 Å 3
Surface Area 460.29 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey ATPVSNJCPGPJGO-LVHQOGBASA-N
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