1-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Prolyl-N-[(2S)-2-(Methylamino)Propanoyl]-D-Alaninamide

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Formula C17H30N4O5
IUPAC Name tert-butyl (2s)-2-[[(1r)-1-methyl-2-[[(2s)-2-(methylamino)propanoyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate
Molecular Mass 370.444 g·mol−1
Heat of Formation -1029.1 ± 16.7 kJ·mol−1
Dipole Moment 7.76 ± 1.08 D
Volume 474.06 Å 3
Surface Area 384.07 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(1r)-2-keto-1-methyl-2-[[(2s)-2-methylaminopropanoyl]amino]ethyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester
  • (2s)-2-[[[(1r)-1-methyl-2-[[(2s)-2-methylamino-1-oxopropyl]amino]-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
  • 1-((1,1-dimethylethoxy)carbonyl)-l-prolyl-d-alanyl-n-methyl-l-alaninamide
  • bpaam
  • n-t-boc-pro-ala-ala-nhch3
  • tert-butyl (2s)-2-[[(1r)-1-methyl-2-[[(2s)-2-methylaminopropanoyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate
  • tert-butyl (2s)-2-[[(2r)-1-[[(2s)-2-methylaminopropanoyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CAS Number(s)
  • 103137-93-5
InChIKey CERPSWNFVMCZAO-TUAOUCFPSA-N
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