N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-Dihydroxy-2,6-Dimethyl-4-Heptanyl]Amino}-4-[(R)-Methylsulfinyl]-1-Oxo-2-Butanyl}Amino)-3-Methyl-1-Oxo-2-Butanyl]Hexanamide

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Properties Simple | Detailed

Formula C25H49N3O6S
IUPAC Name n-[(1s)-1-[[(1s)-1-[[(1s,2s,3r)-2,4-dihydroxy-1-isobutyl-3-methyl-butyl]carbamoyl]-3-[(r)-methylsulfinyl]propyl]carbamoyl]-2-methyl-propyl]hexanamide
Molecular Mass 519.738 g·mol−1
Heat of Formation -1469.6 ± 16.7 kJ·mol−1
Dipole Moment 6.73 ± 1.08 D
Volume 677.76 Å 3
Surface Area 553.4 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.59 ± eV
Point Group Symmetry C1
InChIKey LBVOFIKOXKWSTC-WFKZTUFRSA-N
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