1-[(2R)-6-Amino-2-(L-Threonylamino)-4-Hexynoyl]-L-Proline

Molecule SVG Image

Properties Simple | Detailed

Formula C15H24N4O5
IUPAC Name (2s)-1-[(2r)-6-amino-2-[[(2s,3r)-2-amino-3-hydroxy-butanoyl]amino]hex-4-ynoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 340.375 g·mol−1
Heat of Formation -791.5 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 411.28 Å 3
Surface Area 338.33 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2r)-6-amino-2-[[(2s,3r)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxohex-4-ynyl]-2-pyrrolidinecarboxylic acid
  • (2s)-1-[(2r)-6-amino-2-[[(2s,3r)-2-amino-3-hydroxy-butanoyl]amino]hex-4-ynoyl]proline
  • (2s)-1-[(2r)-6-amino-2-[[(2s,3r)-2-amino-3-hydroxy-butanoyl]amino]hex-4-ynoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2r)-6-amino-2-[[(2s,3r)-2-amino-3-hydroxybutanoyl]amino]hex-4-ynoyl]pyrrolidine-2-carboxylic acid
  • thr-dah-pro
  • threonyl-2,6-diamino-4-hexynoate proline
CAS Number(s)
  • 92837-05-3
InChIKey ANXYVYKBGQLINJ-WYUUTHIRSA-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