(2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(Phenylacetyl)Amino]-N-Propyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C19H25N3O3S
IUPAC Name (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-n-propyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
Molecular Mass 375.485 g·mol−1
Heat of Formation -389.0 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 460.24 Å 3
Surface Area 382.68 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenylethanoylamino)-n-propyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-n-propyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
  • (2s,5r,6r)-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-n-propyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxamide, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-n-propyl-, (2s-(2alpha,5alpha,6beta))-
  • benzylpenicilloyl-n-propylamine
  • bp-propylamine
CAS Number(s)
  • 22131-71-1
  • 22188-59-6
InChIKey MMBUCVYZVWXLFW-RVKKMQEKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N