N-[(2S,3R)-4-{[(2S)-1-(Cyclohexylamino)-1-Oxo-2-Propanyl]Amino}-3-Hydroxy-1-Phenyl-2-Butanyl]-3-(Pentylsulfonyl)Benzamide

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Properties Simple | Detailed

Formula C31H45N3O5S
IUPAC Name n-[(1s,2r)-1-benzyl-3-[[(1s)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]amino]-2-hydroxy-propyl]-3-pentylsulfonyl-benzamide
Molecular Mass 571.771 g·mol−1
Heat of Formation -946.5 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 661.04 Å 3
Surface Area 584.62 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
InChIKey FBMGVFBNGKNQCB-WTWMYVDVSA-N
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