CAS 2170771-53-4 appears in our catalog under these names: Piperacillin Impurity 35, Piperacillin Impurity N. Offered by: Chemat Brand, Biosynth. Available pack sizes: on request, 50mg, 25mg.
(2R,4S)-2-[(R)-carboxy-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]methyl]-3-[(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CAS 2170771-53-4) is a chemical compound with the molecular formula C46H54N10O14S2 and a molecular weight of 1035.1 g/mol. IUPAC name: (2R,4S)-2-[(R)-carboxy-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]methyl]-3-[(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid. InChIKey: DFZUVTZNBAMWRE-MPWRIWPQSA-N.
| Molecular formula | C46H54N10O14S2 |
|---|---|
| Molecular weight | 1035.1 g/mol |
| IUPAC name | (2R,4S)-2-[(R)-carboxy-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]methyl]-3-[(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
| InChIKey | DFZUVTZNBAMWRE-MPWRIWPQSA-N |
| SMILES | CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)N5[C@H](SC([C@@H]5C(=O)O)(C)C)[C@@H](C(=O)O)NC(=O)[C@@H](C6=CC=CC=C6)NC(=O)N7CCN(C(=O)C7=O)CC |
Computed by PubChem (NCBI)