N-({(1R,2R)-3-Oxo-2-[(2Z)-2-Penten-1-Yl]Cyclopentyl}Acetyl)-L-Isoleucine

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Properties Simple | Detailed

Formula C18H29NO4
IUPAC Name (2s,3s)-3-methyl-2-[[2-[(1r,2r)-3-oxo-2-[(z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
Molecular Mass 323.427 g·mol−1
Heat of Formation -893.0 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 425.69 Å 3
Surface Area 372.03 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 3.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-[[2-[(1r,2r)-3-keto-2-[(z)-pent-2-enyl]cyclopentyl]acetyl]amino]-3-methyl-valeric acid
  • (2s,3s)-3-methyl-2-[2-[(1r,2r)-3-oxo-2-[(z)-pent-2-enyl]cyclopentyl]ethanoylamino]pentanoic acid
  • (2s,3s)-3-methyl-2-[[1-oxo-2-[(1r,2r)-3-oxo-2-[(z)-pent-2-enyl]cyclopentyl]ethyl]amino]pentanoic acid
  • (2s,3s)-3-methyl-2-[[2-[(1r,2r)-3-oxo-2-[(z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
  • cmc_13966
  • cmc_7385
  • jasmonate-isoleucine conjugate
  • l-isoleucine, n-[[(1r,2r)-3-oxo-2-(2z)-2-pentenylcyclopentyl]acetyl]- (9ci)
  • l-isoleucine, n-[[(1r,2r)-3-oxo-2-[(2z)-2-pentenyl]cyclopentyl]acetyl]-
  • l-isoleucine, n-[[3-oxo-2-(2-pentenyl)cyclopentyl]acetyl]-, [1r-[1alpha,2beta(z)]]-
CAS Number(s)
  • 120330-93-0
InChIKey IBZYPBGPOGJMBF-QRHMYKSGSA-N
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