Methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-Hydroxy-6-Isopropyl-4,7-Dioxo-5,8-Diazabicyclo[11.2.2]Heptadeca-1(15),10,13,16-Tetraen-3-Yl]Propyl}-2-[4-(3-Pyridinyl)Benzyl]Hydrazino)-3,3-Dimethyl-1-Oxo-2-Butanyl ]Carbamate (Non-Preferred Name)

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Formula C41H54N6O6
IUPAC Name methyl n-[(1s)-1-[[3-[(3r,6s,10z)-3-hydroxy-6-isopropyl-4,7-dioxo-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl-[[4-(3-pyridyl)phenyl]methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 726.904 g·mol−1
Heat of Formation -933.6 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 921.39 Å 3
Surface Area 628.34 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey NKAIBDUEJMTLGH-UGLCWRDGSA-N
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