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

Molecule SVG Image

Properties Simple | Detailed

Formula C18H29N3O6
IUPAC Name (2s)-1-[(2s,3s)-3-methyl-2-[[(2s,3s)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 383.439 g·mol−1
Heat of Formation -1060.5 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 478.02 Å 3
Surface Area 402.95 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 0.55 ± 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
  • (2s)-1-[(2s,3s)-3-methyl-2-[[(2s,3s)-3-(propylcarbamoyl)oxiran-2-yl]carbonylamino]pentanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s,3s)-3-methyl-2-[[(2s,3s)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]proline
  • (2s)-1-[(2s,3s)-3-methyl-2-[[(2s,3s)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
InChIKey ZEZGJKSEBRELAS-PEDHHIEDSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N