N-[(2E)-1-(Methylamino)-1-Oxo-2-Buten-2-Yl]-Nalpha-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C19H27N3O4
IUPAC Name tert-butyl n-[(1s)-1-benzyl-2-[[(e)-1-(methylcarbamoyl)prop-1-enyl]amino]-2-oxo-ethyl]carbamate
Molecular Mass 361.435 g·mol−1
Heat of Formation -707.4 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 458.89 Å 3
Surface Area 399.38 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-1-(benzyl)-2-keto-2-[[(e)-1-(methylcarbamoyl)prop-1-enyl]amino]ethyl]carbamic acid tert-butyl ester
  • n-[(1s)-2-[[(e)-1-(methylcarbamoyl)prop-1-enyl]amino]-2-oxo-1-(phenylmethyl)ethyl]carbamic acid tert-butyl ester
  • n-boc-l-phe-dehydro-abu-nh-ch3
  • n-bpda
  • n-butyloxycarbonyl-phenylalanyl-dehydroaminobutyryl-nh-ch3
  • tert-butyl n-[(1s)-2-[[(e)-1-(methylcarbamoyl)prop-1-enyl]amino]-2-oxo-1-(phenylmethyl)ethyl]carbamate
  • tert-butyl n-[(2s)-1-[[(e)-1-methylamino-1-oxo-but-2-en-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]carbamate
  • tert-butyl n-[(2s)-1-[[(e)-1-methylamino-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CAS Number(s)
  • 148914-46-9
InChIKey SBCAAPXYZQYFLJ-HVJNQHDOSA-N
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