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Technology Process of (6R,7R)-7-[(4-carboxy-1-oxobutyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-[(4-carboxy-1-oxobutyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Base Information
  • Chemical Name:(6R,7R)-7-[(4-carboxy-1-oxobutyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • CAS No.:60758-77-2
  • Molecular Formula:C13H16N2O6S
  • Molecular Weight:328.346
  • Hs Code.:
  • DSSTox Substance ID:DTXSID901109262
  • Nikkaji Number:J1.910.297A
  • Metabolomics Workbench ID:123474
  • ChEMBL ID:CHEMBL1426785
(6R,7R)-7-[(4-carboxy-1-oxobutyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Synonyms:MLS001049037;SMR000387007;(6R,7R)-7-[(4-carboxy-1-oxobutyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;CHEMBL1426785;BDBM61708;cid_6351451;DTXSID901109262;HMS2269N20;AKOS030491870;60758-77-2;AB00637159-05;(7R)-7beta-[(4-Carboxybutanoyl)amino]-3-methylcepham-3-ene-4-carboxylic acid;(6R,7R)-3-methyl-8-oxidanylidene-7-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;(6R,7R)-7-(4-carboxybutanoylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;(6R,7R)-7-(4-carboxybutanoylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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Chemical Property of (6R,7R)-7-[(4-carboxy-1-oxobutyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Property:
  • XLogP3:-0.9
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Rotatable Bond Count:6
  • Exact Mass:328.07290741
  • Heavy Atom Count:22
  • Complexity:573
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MSDS Files:
Useful:
  • Canonical SMILES:CC1=C(N2C(C(C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O
  • Isomeric SMILES:CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O
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