Methyl N-{[(2S,3S)-3-(Propylcarbamoyl)-2-Oxiranyl]Carbonyl}-L-Isoleucyl-L-Prolinate

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Formula C19H31N3O6
IUPAC Name methyl (2s)-1-[(2s,3s)-3-methyl-2-[[(2s,3s)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylate
Molecular Mass 397.466 g·mol−1
Heat of Formation -1045.7 ± 16.7 kJ·mol−1
Dipole Moment 7.96 ± 1.08 D
Volume 496.08 Å 3
Surface Area 416.53 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s,3s)-3-methyl-1-oxo-2-[[oxo-[(2s,3s)-3-(oxo-propylaminomethyl)-2-oxiranyl]methyl]amino]pentyl]-2-pyrrolidinecarboxylic acid methyl ester
  • (2s)-1-[(2s,3s)-3-methyl-2-[[(2s,3s)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid methyl ester
  • bio2_000234
  • bio2_000714
  • methyl (2s)-1-[(2s,3s)-3-methyl-2-[[(2s,3s)-3-(propylcarbamoyl)oxiran-2-yl]carbonylamino]pentanoyl]pyrrolidine-2-carboxylate
  • methyl (2s)-1-[(2s,3s)-3-methyl-2-[[(2s,3s)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylate
InChIKey XGWSRLSPWIEMLQ-YTFOTSKYSA-N
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