Molecule record

(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C10H12N4O5S

300.30 g/mol

Loading structure

Molecular properties

Formula
C10H12N4O5S
Molar mass
300.30 g·mol−1
Exact mass
300.0528 Da
7
PubChem CID
123630

Functional groups

Alkane / alkyl carbon
Amide
Carboxylic acid
Sulfone
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (2S,3S,5R)-3-METHYL-4,4,7-TRIOXO-3-(1H-1,2,3-TRIAZOL-1-YLMETHYL)-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
  • 89786-04-9
  • CHEBI:9421
  • CHEMBL404
  • CL 298,741
  • CL-298741;YTR-830H
  • CXA201
  • DTXCID003634
Show all 24 synonyms
  • DTXSID8023634
  • J01CG02
  • MFCD00867002
  • NSC-759887
  • RefChem:891206
  • SE10G96M8W
  • SR-01000872598
  • Tazobactam
  • Tazobactam acid
  • Tazobactam;Tazobactan acid
  • Tazobactamum
  • Tazobactamum [INN-Latin]
  • YTR 830 H
  • YTR-830
  • YTR-830H
  • YTR830

Structure identifiers

Canonical SMILES
C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
Isomeric SMILES
C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3
InChI
InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
InChIKey
LPQZKKCYTLCDGQ-WEDXCCLWSA-N
PubChem CID
123630

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record