Bis(2-Methyl-2-Propanyl) {Iminobis[(2S,3R)-3-Hydroxy-1-Phenyl-4,2-Butanediyl]}Biscarbamate

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Properties Simple | Detailed

Formula C30H45N3O6
IUPAC Name 1,1-dimethylethyl n-[(1s,2r)-1-benzyl-3-[[(2r,3s)-3-(1,1-dimethylethoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamate
Molecular Mass 543.695 g·mol−1
Heat of Formation -1209.5 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 695.02 Å 3
Surface Area 555.43 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 3.12 ± eV
Point Group Symmetry C1
Synonyms
  • ((s,r)-3-(((r,s)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic acid, 1,1-dimethylethyl ester
  • 12-oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3,9-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (3s,4r,8r,9s)-
  • [(s,r)-3-[[(r,s)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid, 1,1-dimethylethyl ester
  • aminodiol deriv. 9a
  • aminodiol isostere, bn sym deriv.
  • bms-182193, bms-182,193
  • bms-186318 analog 1
  • n-[(1s,2r)-1-(benzyl)-3-[[(2r,3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamic acid tert-butyl ester
  • n-[(1s,2r)-3-[[(2r,3s)-3-[(tert-butoxy-oxomethyl)amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
  • otb-hph-dmn-hph-otb
  • tert-butyl n-[(1s,2r)-3-[[(2r,3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
  • tert-butyl n-[(2s,3r)-3-hydroxy-4-[[(2r,3s)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butyl]amino]-1-phenyl-butan-2-yl]carbamate
  • tert-butyl n-[(2s,3r)-3-hydroxy-4-[[(2r,3s)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate
CAS Number(s)
  • 161302-38-1
InChIKey KKRYDPVDJYCEER-QEGGNFSNSA-N
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