Primary Record
C23H32N12O12S3
- In stock
- 1,283 g
- Purity
- 99.4 %
- CAS
- 936111-69-2
Compound Identifiers & Properties
- CAS
- 936111-69-2
- PubChem CID
- 168324425
- SMILES
- CC(C)(C(=O)O)O/N=C(/C1=NSC(=N1)N)\C(=N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC(=C(N4C)N)NC(=O)NCCN)C(=O)O)[O-].OS(=O)(=O)O
- Canonical SMILES
- Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](N=C([O-])/C(=N\OC(C)(C)C(=O)O)c3nsc(N)n3)[C@H]2SC1.O=S(=O)(O)O
Names & Synonyms
- C23H32N12O12S3
- 2-[(Z)-[2-[[(6R,7R)-3-[[3-amino-4-(2-aminoethylcarbamoylamino)-2-methyl-pyrazol-1-ium-1-yl]methyl]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxo-ethylidene]amino]oxy-2-methyl-propanoate;sulfuric acid
- 936111-69-2