(2S,3As,7As)-1-[(2S)-2-[[(2S)-2-Cyclohexyl-2-[[(2R)-4-Nitro-2H-Pyrrole-2-Carbonyl]Amino]Acetyl]Amino]-3,3-Dimethyl-Butanoyl]-N-[(1S)-1-[(1R)-2-(Cyclopropylamino)-1-Hydroxy-2-Oxo-Ethyl]Butyl]-2,3,3A,4,5,6,7,7A-Octahydroindole-2-Carboxamide

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Formula C37H57N7O8
IUPAC Name (2s,3as,7as)-1-[(2s)-2-[[(2s)-2-cyclohexyl-2-[[(2r)-4-nitro-2h-pyrrole-2-carbonyl]amino]acetyl]amino]-3,3-dimethyl-butanoyl]-n-[(1s)-1-[(1r)-2-(cyclopropylamino)-1-hydroxy-2-oxo-ethyl]butyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Molecular Mass 727.891 g·mol−1
Heat of Formation -1176.0 ± 16.7 kJ·mol−1
Dipole Moment 8.23 ± 1.08 D
Volume 905.44 Å 3
Surface Area 610.47 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
InChIKey PJFQLYPRWSXBOX-MGNUMPGCSA-N
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