2-Methyl-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Alanyl-N-{[(2S)-1-Methyl-2-Pyrrolidinyl]Carbonyl}-L-Prolinamide

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Properties Simple | Detailed

Formula C20H34N4O5
IUPAC Name tert-butyl n-[1,1-dimethyl-2-[(2s)-2-[[(1r,2s)-1-methylpyrrolidine-2-carbonyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamate
Molecular Mass 410.508 g·mol−1
Heat of Formation -1020.3 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 512.84 Å 3
Surface Area 437.08 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 0.65 ± eV
Point Group Symmetry C1
Synonyms
  • boc-aib-pro-pro-nhme
  • l-prolinamide, n-((1,1-dimethylethoxy)carbonyl)-2-methylalanyl-l-prolyl-n-methyl-
  • n-[1,1-dimethyl-2-[(2s)-2-[[[[(2s)-1-methyl-2-pyrrolidinyl]-oxomethyl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]carbamic acid tert-butyl ester
  • n-[2-[(2s)-2-(hygroylcarbamoyl)pyrrolidin-1-yl]-2-keto-1,1-dimethyl-ethyl]carbamic acid tert-butyl ester
  • tert-butyl n-[1,1-dimethyl-2-[(2s)-2-[[(2s)-1-methylpyrrolidine-2-carbonyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamate
  • tert-butyl n-[2-methyl-1-[(2s)-2-[[(2s)-1-methylpyrrolidin-2-yl]carbonylcarbamoyl]pyrrolidin-1-yl]-1-oxo-propan-2-yl]carbamate
  • tert-butyl n-[2-methyl-1-[(2s)-2-[[(2s)-1-methylpyrrolidine-2-carbonyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
  • tert-butyloxycarbonyl-2-aminoisobutyryl-prolyl-prolyl-methylamide
CAS Number(s)
  • 84902-97-6
InChIKey WRNOPZOASXNZJB-KBPBESRZSA-N
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