N-[6-{[1-(Benzylamino)-3-Methyl-1-Oxo-2-Butanyl]Amino}-1-(3,5-Difluorophenoxy)-3-Hydroxy-5-Methoxy-6-Oxo-2-Hexanyl]-5-[Methyl(Methylsulfonyl)Amino]-N'-(1-Phenylethyl)Isophthalamide (Non-Preferred Name)

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Properties Simple | Detailed

Formula C43H51F2N5O9S
IUPAC Name n1-[(1s,2s,4r)-5-[[(1s)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-1-[(3,5-difluorophenoxy)methyl]-2-hydroxy-4-methoxy-5-oxo-pentyl]-5-[methyl(methylsulfonyl)amino]-n3-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
Molecular Mass 851.955 g·mol−1
Heat of Formation -1796.1 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 993.09 Å 3
Surface Area 652.02 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
InChIKey IEIHXPJWOSDLBU-VWMOWEEZSA-N
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