2-Methyl-2-Propanyl (2S)-2-{[(1Z)-3-{[2-(Ethylamino)-2-Oxoethyl]Amino}-3-Oxo-1-Phenyl-1-Propen-2-Yl]Carbamoyl}-1-Pyrrolidinecarboxylate

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Properties Simple | Detailed

Formula C23H32N4O5
IUPAC Name tert-butyl (2s)-2-[[(z)-1-[[2-(ethylamino)-2-oxo-ethyl]carbamoyl]-2-phenyl-vinyl]carbamoyl]pyrrolidine-1-carboxylate
Molecular Mass 444.524 g·mol−1
Heat of Formation -894.6 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 569.83 Å 3
Surface Area 438.05 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(z)-1-[(2-ethylamino-2-keto-ethyl)carbamoyl]-2-phenyl-vinyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester
  • (2s)-2-[[[(z)-1-[[(2-ethylamino-2-oxoethyl)amino]-oxomethyl]-2-phenylvinyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
  • boc-pro-dphe-gly-nhet
  • glycinamide, 1-((1,1-dimethylethoxy)carbonyl)-l-prolyl-(z)-alpha,beta-didehydrophenylalanyl-n-ethyl-
  • tert-butyl (2s)-2-[[(z)-1-[(2-ethylamino-2-oxo-ethyl)carbamoyl]-2-phenyl-vinyl]carbamoyl]pyrrolidine-1-carboxylate
  • tert-butyl (2s)-2-[[(z)-3-[(2-ethylamino-2-oxo-ethyl)amino]-3-oxo-1-phenyl-prop-1-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
  • tert-butyl (2s)-2-[[(z)-3-[(2-ethylamino-2-oxoethyl)amino]-3-oxo-1-phenylprop-1-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
  • tert-butyloxycarbonyl-prolyl-dehydrophenylalanyl-glycyl-ethylamide
CAS Number(s)
  • 125768-11-8
InChIKey YVPSQTILRMLJPC-DNKLCNGGSA-N
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