N-[(2R)-1-{[(2S,3S,5R)-1-Cyclohexyl-3-Hydroxy-5-{[2-(4-Morpholinyl)Ethyl]Carbamoyl}-7-Octyn-2-Yl]Amino}-3-(Methylsulfanyl)-1-Oxo-2-Propanyl]-1H-Benzimidazole-2-Carboxamide

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Formula C33H48N6O5S
IUPAC Name n-[(1r)-2-[[(1s,2s,4r)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-morpholinoethylcarbamoyl)hept-6-ynyl]amino]-1-(methylsulfanylmethyl)-2-oxo-ethyl]-1h-benzimidazole-2-carboxamide
Molecular Mass 640.836 g·mol−1
Heat of Formation -647.6 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 800.06 Å 3
Surface Area 613.22 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
InChIKey MDCNERSXJOKFTF-ZLPBPMGLSA-N
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