Products 80072-86-2

CAS 80072-86-2 appears in our catalog under these names: CENTA, CENTA ²-Lactamase Substrate, CENTA, 99.0%, CENTA™ β-Lactamase Substrate 1PC X 25MG. Offered by: TargetMol, GLPBio, Biosynth, MedChemExpress, Sigma-Aldrich. Available pack sizes: 1mg, 5mg, 50mg, 25mg, 100mg, 5 mg, 1 mg, 25 mg.

CENTA
TargetMol, GLPBio
  • size: 1mg, 5mg
  • Variants: 4
from 691.36
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CENTA ²-Lactamase Substrate
Biosynth
  • size: 50mg, 25mg, 100mg
  • Variants: 3
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CENTA, 99.0%
MedChemExpress
  • size: 5 mg, 1 mg, 25 mg, 10 mg
  • Variants: 4
from 575.11
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CENTA™ β-Lactamase Substrate 1PC X 25MG
Sigma-Aldrich
  • size: 25MG
  • Variants: 1
from 1540.00
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Structural formula: {0} (CAS {1})

(6R,7R)-3-[(3-carboxy-4-nitrophenyl)sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 80072-86-2) is a chemical compound with the molecular formula C21H17N3O8S3 and a molecular weight of 535.6 g/mol. IUPAC name: (6R,7R)-3-[(3-carboxy-4-nitrophenyl)sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. InChIKey: PFVWVVUSAORMBB-VQIMIIECSA-N.

Identity
Molecular formulaC21H17N3O8S3
Molecular weight535.6 g/mol
IUPAC name(6R,7R)-3-[(3-carboxy-4-nitrophenyl)sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyPFVWVVUSAORMBB-VQIMIIECSA-N
SMILESC1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)CSC4=CC(=C(C=C4)[N+](=O)[O-])C(=O)O

Computed by PubChem (NCBI)

Synonyms: CENTA, CENTA(TM) BETA-LACTAMASE SUBSTRATE, orb1697920, CENTA (2)-Lactamase Substrate, PFVWVVUSAORMBB-VQIMIIECSA-N
Related forms of this compound
(6R,7R)-3-[(3-carboxy-4-nitrophenyl)sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid C21H17N3O8S3
(6R,7R)-3-[(3-carboxy-4-nitrophenyl)sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid C21H17N3O8S3