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

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Formula C25H35N3O6
IUPAC Name benzyl (2s)-1-[(2s,3s)-3-methyl-2-[[(2s,3s)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylate
Molecular Mass 473.562 g·mol−1
Heat of Formation -938.1 ± 16.7 kJ·mol−1
Dipole Moment 8.91 ± 1.08 D
Volume 592.04 Å 3
Surface Area 506.14 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.21 ± 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 phenylmethyl ester
  • (2s)-1-[(2s,3s)-3-methyl-2-[[(2s,3s)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid benzyl ester
  • phenylmethyl (2s)-1-[(2s,3s)-3-methyl-2-[[(2s,3s)-3-(propylcarbamoyl)oxiran-2-yl]carbonylamino]pentanoyl]pyrrolidine-2-carboxylate
  • phenylmethyl (2s)-1-[(2s,3s)-3-methyl-2-[[(2s,3s)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylate
InChIKey OMQNYWZURFTFHE-MQBSTWLZSA-N
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