Methyl 1-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Prolyl-2-Methylalanyl-L-Alanyl-2-Methylalaninate

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Properties Simple | Detailed

Formula C22H38N4O7
IUPAC Name tert-butyl (2s)-2-[[2-[[(1s)-2-[(2-methoxy-1,1-dimethyl-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]amino]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate
Molecular Mass 470.560 g·mol−1
Heat of Formation -1509.3 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 603.93 Å 3
Surface Area 480.63 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[2-keto-2-[[(1s)-2-keto-2-[(2-keto-2-methoxy-1,1-dimethyl-ethyl)amino]-1-methyl-ethyl]amino]-1,1-dimethyl-ethyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester
  • (2s)-2-[[[2-[[(1s)-2-[(2-methoxy-1,1-dimethyl-2-oxoethyl)amino]-1-methyl-2-oxoethyl]amino]-1,1-dimethyl-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
  • alanine, n-(n-(n-(1-((1,1-dimethylethoxy)carbonyl)-l-prolyl)-2-methylalanyl)-l-alanyl)-2-methyl-, methyl ester
  • boc-pro-aib-ala-aib-ome
  • tert-butyl (2s)-2-[[1-[[(2s)-1-[(1-methoxy-2-methyl-1-oxo-propan-2-yl)amino]-1-oxo-propan-2-yl]amino]-2-methyl-1-oxo-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
  • tert-butyl (2s)-2-[[1-[[(2s)-1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
  • tert-butyl (2s)-2-[[2-[[(1s)-2-[(2-methoxy-1,1-dimethyl-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]amino]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate
  • tert-butyloxycarbonyl-prolyl-2-aminoisobutyryl-alanyl-2-aminoisobutyrate methyl ester
CAS Number(s)
  • 64295-19-8
InChIKey XABLVIHSPGETMI-KBPBESRZSA-N
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