Methyl (6S,9S,12R,13S,17S,20R,21S)-13,21-Dihydroxy-6,9-Diisopropyl-2,17-Dimethyl-4,7,10,15,18-Pentaoxo-12,20-Bis(Trifluoromethyl)-5,8,11,16,19-Pentaazatricosan-23-Oate

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Formula C29H47F6N5O9
IUPAC Name methyl (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]pentanoate
Molecular Mass 723.702 g·mol−1
Heat of Formation -3341.9 ± 16.7 kJ·mol−1
Dipole Moment 9.20 ± 1.08 D
Volume 841.51 Å 3
Surface Area 680.63 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (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 methyl ester
  • (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 methyl ester
  • 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 methyl ester
  • 5fe
  • methyl (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]pentanoate
InChIKey DBMUWIXNLHQYDY-OCVHHRCCSA-N
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