AC1MC791 structure

AC1MC791

potassium (2S,5R,6R)-6-[(4-azidobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Also Known As: 2-Formylamino-2-phenyl-propionsaeure|potassium;(2S,5R,6R)-6-[(4-azidobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|6-(p-Azidobenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, monopotassium salt|Potassium (2S,5R,6R)-6-(4-azidobenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|6-(p-Azidobenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,monopotassium salt|potassium (2S,5R,6R)-6-[(4-azidobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|potassium,(2S,5R,6R)-6-[(4-azidobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

CAS: 3381-71-3
Molecular Formula C15H14KN5O4S
Molecular Weight 399.04034 g/mol
LogP -2.457
Topological Polar Surface Area 138.3 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 399.04034
Monoisotopic Mass 399.04034
Heavy Atoms 26
Complexity 808.7597

Chemical Identifiers

CAS Number 3381-71-3
SMILES CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=CC=C(C=C3)N=[N+]=[N-])C(=O)[O-])C.[K+]

Product Overview

AC1MC791 (CAS 3381-71-3), with molecular formula C15H14KN5O4S and molecular weight 399.04034 g/mol. IUPAC: potassium (2S,5R,6R)-6-[(4-azidobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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