N~2~-{(1R,2S)-1-[(3S,5S)-3,5-Dimethoxy-2-Methyl-6-Oxo-1-Cyclohexen-1-Yl]-1-Hydroxy-2-Propanyl}-L-Glutamine

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Properties Simple | Detailed

Formula C17H28N2O7
IUPAC Name (2s)-5-amino-2-[[(1s,2r)-2-[(3s,5s)-3,5-dimethoxy-2-methyl-6-oxo-cyclohexen-1-yl]-2-hydroxy-1-methyl-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 372.413 g·mol−1
Heat of Formation -1329.7 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 459.37 Å 3
Surface Area 346.1 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-amino-2-[[(1r,2s)-1-[(3s,5s)-3,5-dimethoxy-2-methyl-6-oxo-1-cyclohexenyl]-1-hydroxy-propan-2-yl]amino]-5-oxo-pentanoic acid
  • (2s)-5-amino-2-[[(1r,2s)-1-[(3s,5s)-3,5-dimethoxy-2-methyl-6-oxo-1-cyclohexenyl]-1-hydroxypropan-2-yl]amino]-5-oxopentanoic acid
  • (2s)-5-amino-2-[[(1s,2r)-2-[(3s,5s)-3,5-dimethoxy-2-methyl-6-oxo-1-cyclohexenyl]-2-hydroxy-1-methyl-ethyl]amino]-5-oxo-pentanoic acid
  • (2s)-5-amino-2-[[(1s,2r)-2-[(3s,5s)-3,5-dimethoxy-2-methyl-6-oxo-1-cyclohexenyl]-2-hydroxy-1-methylethyl]amino]-5-oxopentanoic acid
  • (2s)-5-amino-2-[[(1s,2r)-2-hydroxy-2-[(3s,5s)-6-keto-3,5-dimethoxy-2-methyl-1-cyclohexenyl]-1-methyl-ethyl]amino]-5-keto-valeric acid
  • l-glutamine, n-(2-(3,5-dimethoxy-2-methyl-6-oxo-1-cyclohexen-1-yl)-2-hydroxy-1-methylethyl)-, (3s-(1(1r*,2s*),3alpha,5beta))-
  • lascivol
CAS Number(s)
  • 129421-88-1
InChIKey DNQMKRSRCGKQNN-VSBZFQJLSA-N
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