3-Methyl-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Valyl-(4R)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)Carbamoyl]-2-Vinylcyclopropyl}-4-[(6-Methoxy-1-Isoquinolinyl)Oxy]-L-Prolinamide

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Properties Simple | Detailed

Formula C35H47N5O9S
IUPAC Name tert-butyl n-[1-[2-[[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-4-[(6-methoxy-1-isoquinolyl)oxy]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 713.841 g·mol−1
Heat of Formation -1353.5 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 850.3 Å 3
Surface Area 665.02 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey IYWRCNFZPNEADN-CXODAYGWSA-N
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