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Home > Encyclopedia > 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo-

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo-

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo- structure

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo- 

structure
  • CAS No:

    38429-35-5

  • Formula:

    C16H22N4O9S

  • Chemical Name:

    5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo-

  • Synonyms:

    5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo-;A16886β

Description

ChEBI: One of three naturally occurring cephamycin antibiotics, differing from the A and B forms in its carbamoyloxymethyl substituent at C-3.

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-7-methoxy-8-oxo- Basic Attributes

446.4

446.43

179170

Characteristics

237

Computed Properties

Molecular Weight:446.4
XLogP3:-4.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:11
Exact Mass:446.11074947
Monoisotopic Mass:446.11074947
Topological Polar Surface Area:237
Heavy Atom Count:30
Complexity:802
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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