(2S,3S,6R,7R,8R)-3-[(3-Formamido-2-Hydroxybenzoyl)Amino]-2,6-Dimethyl-4,9-Dioxo-8-Pentyl-1,5-Dioxonan-7-Yl 3-Methylbutanoate

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Properties Simple | Detailed

Formula C27H38N2O9
IUPAC Name [(2s,3s,6r,7r,8r)-3-[(3-formamido-2-hydroxy-benzoyl)amino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] 3-methylbutanoate
Molecular Mass 534.599 g·mol−1
Heat of Formation -1696.8 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 644.26 Å 3
Surface Area 534.61 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylbutanoic acid [(2s,3s,6r,7r,8r)-3-[[(3-formamido-2-hydroxyphenyl)-oxomethyl]amino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] ester
  • 3-methylbutyric acid [(2s,3s,6r,7r,8r)-8-amyl-3-[(3-formamido-2-hydroxy-benzoyl)amino]-4,9-diketo-2,6-dimethyl-1,5-dioxonan-7-yl] ester
  • [(2s,3s,6r,7r,8r)-3-[(3-formamido-2-hydroxy-benzoyl)amino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] 3-methylbutanoate
  • [(2s,3s,6r,7r,8r)-3-[(3-formamido-2-hydroxy-phenyl)carbonylamino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] 3-methylbutanoate
  • [(2s,3s,6r,7r,8r)-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] 3-methylbutanoate
  • amy
InChIKey ZVYMCLIDNNTNCL-BJDKEMKCSA-N
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