(1R,3S)-3-(2-Acetamido-2-Propanyl)-N-[(2S,3S,5R)-6-(Butylamino)-3-Hydroxy-5-Methyl-6-Oxo-1-Phenyl-2-Hexanyl]Cyclohexanecarboxamide

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Properties Simple | Detailed

Formula C29H47N3O4
IUPAC Name 3-(1-acetamido-1-methyl-ethyl)-n-[1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxo-pentyl]cyclohexanecarboxamide
Molecular Mass 501.701 g·mol−1
Heat of Formation -1023.0 ± 16.7 kJ·mol−1
Dipole Moment 7.00 ± 1.08 D
Volume 668.85 Å 3
Surface Area 533.56 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
InChIKey NGUMIHCAWWHVPZ-MTKOPPBXSA-N
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