Entanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C28H45F6N5O9
IUPAC Name (3s,4r)-5,5,5-trifluoro-3-hydroxy-4-[[(2s)-2-[[(3s,4r)-5,5,5-trifluoro-3-hydroxy-4-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoic acid
Molecular Mass 709.675 g·mol−1
Heat of Formation -3365.7 ± 16.7 kJ·mol−1
Dipole Moment 7.73 ± 1.08 D
Volume 826.99 Å 3
Surface Area 660.46 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4r)-5,5,5-trifluoro-3-hydroxy-4-[(s)-2-((3s,4r)-5,5,5-trifluoro-3-hydroxy-4-{(s)-3-methyl-2-[(s)-3-methyl-2-(3-methyl-butanoylamino)-butanoylamino]-butanoylamino}-pentanoylamino)-propanoylamino]-pentanoic acid
  • (3s,4r)-5,5,5-trifluoro-3-hydroxy-4-[[(2s)-1-oxo-2-[[(3s,4r)-5,5,5-trifluoro-3-hydroxy-4-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-1-oxopentyl]amino]propyl]amino]pentanoic acid
  • (3s,4r)-5,5,5-trifluoro-3-hydroxy-4-[[(2s)-2-[[(3s,4r)-5,5,5-trifluoro-3-hydroxy-4-[[(2s)-2-[[(2s)-2-(isovalerylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]propanoyl]amino]valeric acid
  • (3s,4r)-5,5,5-trifluoro-3-hydroxy-4-[[(2s)-2-[[(3s,4r)-5,5,5-trifluoro-3-hydroxy-4-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoic acid
  • 4-[(2s)-2-(4-{(2s)-2-[(2s)-3-methyl-2-(3-methylbutanoylamino)butanoylamino]-3-methylbutanoylamino}(3s,4r)-5,5,5-trifluoro-3-hydroxypentanoylamino)propanoylamino](3s,4r)-5,5,5-trifluoro-3-hydroxypentanoic acid
  • 5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid
  • 5fp
  • pepstatin analog
InChIKey UDWBPCUKJLZZFA-AIBCRYBESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N