(1R,2S,5S)-N-[(3S)-1-(Allylamino)-1,2-Dioxo-3-Hexanyl]-3-[(2S)-2-(2,3-Dihydro-1H-Inden-2-Yl)-2-({[(2S)-3,3-Dimethyl-1-(2-Oxo-1-Piperidinyl)-2-Butanyl]Carbamoyl}Amino)Acetyl]-6,6-Dimethyl-3-Azabicyclo[3.1.0]Hexane-2-Carboxamide

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Formula C40H58N6O6
IUPAC Name (1s,4s,5r)-n-[(1s)-1-[2-(allylamino)-2-oxo-acetyl]butyl]-3-[(2s)-2-[[(1s)-2,2-dimethyl-1-[(2-oxo-1-piperidyl)methyl]propyl]carbamoylamino]-2-indan-2-yl-acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide
Molecular Mass 718.925 g·mol−1
Heat of Formation -1069.3 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 937.69 Å 3
Surface Area 692.35 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
InChIKey CRMSMBCBPAEBQR-MUIHSLIFSA-N
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