N-[(2R)-4-Chloro-3-Oxo-1-Phenyl-2-Butanyl]-5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C20H26ClN3O3S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[(1r)-1-benzyl-3-chloro-2-oxo-propyl]pentanamide
Molecular Mass 423.957 g·mol−1
Heat of Formation -520.6 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 513.14 Å 3
Surface Area 409.07 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno(3,4-d)imidazole-4-pentanamide, n-(3-chloro-2-oxo-1-(phenylmethyl)propyl)hexahydro-2-oxo-, (3as-(3aalpha,4beta(r*),6aalpha))-
  • 5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[(1r)-1-(benzyl)-3-chloro-2-keto-propyl]valeramide
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[(1r)-3-chloro-2-oxo-1-(phenylmethyl)propyl]pentanamide
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[(2r)-4-chloro-3-oxo-1-phenyl-butan-2-yl]pentanamide
  • bio-phe-ch2cl
  • biotinylphenylalanylchloromethane
CAS Number(s)
  • 142009-30-1
InChIKey GHRQVNADRFWTHC-YEWFCNIMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S