Account (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
- Catalog No. :
- ACMTDT665
- CAS No. :
- 866186-68-7
- Molecular Formula :
- C23H25N3O9S
- Molecular Weight :
- 519.53
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C23H25N3O9S |
| Molecular Weight | 519.53 |
| SMILES | C[C@@H]1OC(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)NC4=CC=CC(C(=O)O)=C4)C3)[C@H](C)[C@@H]2[C@@H]1C(=O)O |
| InChI Key | GXFHAVHBDSPPAG-RCSJJZFMSA-N |
| CAS No. | 866186-68-7 |
Synthetic Route by SureRoute
2. ACMTDT665 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
(4R,5S,6S)-3-(((3S,5S)-5-((3-((2S,3R)-5-Carboxy-2-((1S,2R)-1-carboxy-2-hydroxypropyl)-4-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-3-methyl-2,3-dihydro-1H-pyrrole-1-carbonyl)phenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(4R,5S,6S)-3-(((3S,5S)-5-((3-((((1S,2R)-1-Carboxy-1-((2S,3R)-5-carboxy-4-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl)propan-2-yl)oxy)carbonyl)phenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid