Account (4R,5S)-5-((1S,2R)-1-Carboxy-2-hydroxypropyl)-3-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
- Catalog No. :
- ACZYXU227
- CAS No. :
- 357154-27-9
- Molecular Formula :
- C22H27N3O8S
- Molecular Weight :
- 493.54
IUPAC Name:(4R,5S)-5-((1S,2R)-1-Carboxy-2-hydroxypropyl)-3-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
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Product Information
| Product Name | (4R,5S)-5-((1S,2R)-1-Carboxy-2-hydroxypropyl)-3-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
|---|---|
| IUPAC Name | (4R,5S)-5-((1S,2R)-1-Carboxy-2-hydroxypropyl)-3-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
| Molecular Formula | C22H27N3O8S |
| Molecular Weight | 493.54 |
| SMILES | C[C@@H](O)[C@@H](C(=O)O)[C@@H]1NC(C(=O)O)=C(S[C@@H]2CN[C@H](C(=O)NC3=CC=CC(C(=O)O)=C3)C2)[C@@H]1C |
| InChI Key | LMDXYCKWMWUYCV-ANEDZVCMSA-N |
| Synonym | Ertapenem Impurity 10;Ertapenem Impurity 1 (Ring Open);Ertapenem Impurity 1;1H-Pyrrole-2-acetic acid, 5-carboxy-4-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-2,3-dihydro-α-[(1R)-1-hydroxyethyl]-3-methyl-, (αS,2S,3R)-;Ertapenem Open-Ring Triacid;Ertapenem Impurity 31;Ertapenem Impurity 14;Ertapenem Impurity C |
| CAS No. | 357154-27-9 |
Synthetic Route by SureRoute
2. ACZYXU227 Molecular Building Block Synthetic Route
Sodium (4R,5S,6S)-3-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
(3S,4S,4aS,5R)-6-(((3S,5S)-5-((3-Carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-3,5-dimethyl-1-oxo-3,4,4a,5-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic acid
(4R,5S)-5-((1S,2R)-1-Carboxy-2-hydroxypropyl)-3-(((3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl)thio)-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid