(2S,2'S)-N,N'-[(2S,3S,4S,5S)-1-Cyclohexyl-3,4-Dihydroxy-6-Phenyl-2,5-Hexanediyl]Bis(3-Methyl-2-{[Methyl(2-Pyridinylmethyl)Carbamoyl]Amino}Butanamide)

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Properties Simple | Detailed

Formula C44H64N8O6
IUPAC Name (2s)-n-[(1s,2s,3s,4s)-1-benzyl-5-cyclohexyl-2,3-dihydroxy-4-[[(2s)-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanoyl]amino]pentyl]-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanamide
Molecular Mass 801.029 g·mol−1
Heat of Formation -1138.5 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 1021.74 Å 3
Surface Area 671.27 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s,2s,3s,4s)-1-(cyclohexylmethyl)-2,3-dihydroxy-4-[[(2s)-3-methyl-2-[(methyl-(2-pyridylmethyl)carbamoyl)amino]butanoyl]amino]-5-phenyl-pentyl]-3-methyl-2-[(methyl-(2-pyridylmethyl)carbamoyl)amino]butanamide
  • (2s)-n-[(1s,2s,3s,4s)-1-(cyclohexylmethyl)-2,3-dihydroxy-4-[[(2s)-3-methyl-2-[(methyl-(2-pyridylmethyl)carbamoyl)amino]butanoyl]amino]-5-phenyl-pentyl]-3-methyl-2-[(methyl-(2-pyridylmethyl)carbamoyl)amino]butyramide
  • (2s)-n-[(1s,2s,3s,4s)-1-(cyclohexylmethyl)-2,3-dihydroxy-4-[[(2s)-3-methyl-2-[[(methyl-(2-pyridylmethyl)amino)-oxomethyl]amino]-1-oxobutyl]amino]-5-phenylpentyl]-3-methyl-2-[[(methyl-(2-pyridylmethyl)amino)-oxomethyl]amino]butanamide
  • (2s)-n-[(2s,3s,4s,5s)-1-cyclohexyl-3,4-dihydroxy-5-[[(2s)-3-methyl-2-[(methyl-(pyridin-2-ylmethyl)carbamoyl)amino]butanoyl]amino]-6-phenyl-hexan-2-yl]-3-methyl-2-[(methyl-(pyridin-2-ylmethyl)carbamoyl)amino]butanamide
  • ai
InChIKey JQIFSYRTTKZQMY-UNHORJANSA-N
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