2-Methyl-2-Propanyl [(2S,3S,5R)-5-Benzyl-3-Hydroxy-6-{[(1S,2R)-2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl]Amino}-6-Oxo-1-Phenyl-2-Hexanyl]Carbamate

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Properties Simple | Detailed

Formula C33H40N2O5
IUPAC Name tert-butyl n-[(1s,2s,4r)-1,4-dibenzyl-2-hydroxy-5-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]carbamate
Molecular Mass 544.681 g·mol−1
Heat of Formation -855.0 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 712.4 Å 3
Surface Area 504.66 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (1s-(1alpha(1r*,2r*,4s*),2alpha))-1,1-dimethylethyl (5-((2,3-dihydro-2-hydroxy-1h-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)carbamate
  • carbamic acid, ((1s,2s,4r)-5-(((1s,2r)-2,3-dihydro-2-hydroxy-1h-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester
  • carbamic acid, (5-((2,3-dihydro-2-hydroxy-1h-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1s-(1alpha(1r*,2r*,4s*),2alpha))-
  • carbamic acid, [(1s,2s,4r)-5-[[(1s,2r)-2,3-dihydro-2-hydroxy-1h-inden-1-yl]amino]-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester
  • l 685434
  • l-685,434
  • l-685434
  • n-[(1s,2s,4r)-1,4-bis(benzyl)-2-hydroxy-5-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-5-keto-pentyl]carbamic acid tert-butyl ester
  • n-[(1s,2s,4r)-2-hydroxy-5-[[(1s,2r)-2-hydroxy-1-indanyl]amino]-5-oxo-1,4-bis(phenylmethyl)pentyl]carbamic acid tert-butyl ester
  • tert-butyl n-[(1s,2s,4r)-2-hydroxy-5-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-5-oxo-1,4-bis(phenylmethyl)pentyl]carbamate
  • tert-butyl n-[(2s,3s,5r)-3-hydroxy-6-[[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino]-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
CAS Number(s)
  • 126456-36-8
InChIKey ZJBUCZFZQXPYFC-JOFXVPDFSA-N
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