4-Nitrophenyl S-(9H-Fluoren-9-Ylmethyl)-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Cysteinate

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Properties Simple | Detailed

Formula C28H28N2O6S
IUPAC Name [3-(4ah-fluoren-9-ylmethylsulfanyl)-2-isocyanato-propanoyl]oxymethoxy-oxido-ammonium; formaldehyde; prop-1-yne
Molecular Mass 520.597 g·mol−1
Heat of Formation -491.3 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 607.39 Å 3
Surface Area 498.9 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(tert-butoxycarbonylamino)-3-(9h-fluoren-9-ylmethylthio)propionic acid (4-nitrophenyl) ester
  • (2r)-2-[(tert-butoxy-oxomethyl)amino]-3-(9h-fluoren-9-ylmethylthio)propanoic acid (4-nitrophenyl) ester
  • (4-nitrophenyl) (2r)-2-(tert-butoxycarbonylamino)-3-(9h-fluoren-9-ylmethylsulfanyl)propanoate
  • (4-nitrophenyl) (2r)-3-(9h-fluoren-9-ylmethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
  • bcfm-cys-pnpe
  • l-cysteine, n-((1,1-dimethylethoxy)carbonyl)-s-(9h-fluoren-9-ylmethyl)-, 4-nitrophenyl ester
  • n-tert-butyloxycarbonyl-s-9-fluorenylmethyl-l-cysteine p-nitrophenyl ester
  • n-tert-butyloxycarbonyl-s-9-fluorenylmethylcysteine 4-nitrophenyl ester
CAS Number(s)
  • 84888-30-2
InChIKey SRGBVELJQNXQCB-VWLOTQADSA-N
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