(2S,5R,6R)-6-({(6S)-6-[(Ammonioacetyl)Amino]-6-Carboxylatohexanoyl}Amino)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C17H25N4O7S-
IUPAC Name (2s,5r,6r)-6-[[(6s)-6-[(2-azaniumylacetyl)amino]-6-carboxylato-hexanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular Mass 429.468 g·mol−1
Heat of Formation 861.2 ± 16.7 kJ·mol−1
Dipole Moment 13.37 ± 1.08 D
Volume 380.4 Å 3
Surface Area 329.21 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -2.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-6-[[(6s)-6-(2-azaniumylethanoylamino)-7-oxido-7-oxo-heptanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • (2s,5r,6r)-6-[[(6s)-6-[(2-ammonio-1-oxoethyl)amino]-7-oxido-1,7-dioxoheptyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • (2s,5r,6r)-6-[[(6s)-6-[(2-ammonioacetyl)amino]-7-keto-7-oxido-heptanoyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • (2s,5r,6r)-6-[[(6s)-6-[(2-azaniumylacetyl)amino]-7-oxido-7-oxo-heptanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • (2s,5r,6r)-6-{[(6r)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • hel
InChIKey LDJWRKFRKCXUDO-RBQWDTSBSA-M
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements S C O N