(2S,5R,6R)-6-(4-carboxybutanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Base Information

• Chemical Name: (2S,5R,6R)-6-(4-carboxybutanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• CAS No.: 26939-76-4
• Molecular Formula: C13H18N2O6S
• Molecular Weight: 330.362
• DSSTox Substance ID: DTXSID401107154
• Nikkaji Number: J1.910.294G

Synonyms:DTXSID401107154;26939-76-4;(2S,5R,6R)-6-[(4-Carboxy-1-oxobutyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Chemical Property of (2S,5R,6R)-6-(4-carboxybutanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 330.08855747
• Heavy Atom Count: 22
• Complexity: 535

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CCCC(=O)O)C(=O)O)C
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC(=O)O)C(=O)O)C

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