N~2~-({(2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Yl}Carbonyl)-L-Lysine

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Properties Simple | Detailed

Formula C22H30N4O5S
IUPAC Name (2s)-6-amino-2-[[(2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]hexanoic acid
Molecular Mass 462.562 g·mol−1
Heat of Formation -761.3 ± 16.7 kJ·mol−1
Dipole Moment 7.10 ± 1.08 D
Volume 563.1 Å 3
Surface Area 460.04 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey INLLJVOEAABJFM-DZIWXPPMSA-N
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