N-(Ethoxycarbonyl)-L-Leucyl-N-[(2S,3R,4S)-1-Cyclohexyl-3,4-Dihydroxy-6-Methyl-2-Heptanyl]-L-Leucinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C29H55N3O6
IUPAC Name ethyl n-[(1s)-1-[[(1s)-1-[[(1s,2r,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamate
Molecular Mass 541.763 g·mol−1
Heat of Formation -1624.8 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 740.56 Å 3
Surface Area 547.66 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.37 ± eV
Point Group Symmetry C1
Synonyms
  • ethyl n-[(1s)-1-[[(1s)-1-[[(1s,2r,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamate
  • ethyl n-[(2s)-1-[[(2s)-1-[[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methyl-heptan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]carbamate
  • ethyl n-[(2s)-1-[[(2s)-1-[[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
  • n-[(1s)-1-[[(1s)-1-[[(1s,2r,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamic acid ethyl ester
  • n-[(1s)-1-[[[(1s)-1-[[[(1s,2r,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]amino]-oxomethyl]-3-methylbutyl]amino]-oxomethyl]-3-methylbutyl]carbamic acid ethyl ester
InChIKey OAFXIYWBKGSXMT-WBAQKLHDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N