Products 866186-68-7

CAS 866186-68-7 appears in our catalog under these names: Ertapenem Impurity 36, Ertapenem Impurity 8, (3S,4S,4aS,5R)-6-(((3S,5S)-5-(((3-Carboxyphenyl)amino)carbonyl)-3-pyrrolidinyl)thio)-3,4,4a,5-tetrahydro-3,5-dimethyl-1-oxo-1H-pyrrolo(1,2-c)(1,3)oxazine-4,7-dicarboxylic Acid, (3S,4S,4aS,5R)-6-[[(3S,5S)-5-[[(3-Carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3,4,4a,5-tetrahydro-3,5-dimethyl-1-oxo-1H-pyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic Acid, 95%, 95%. Offered by: Chemat Brand, TRC, Biosynth, Chemat. Available pack sizes: on request, 100mg, 250mg.

Structural formula: {0} (CAS {1})

(3S,4S,4aS,5R)-6-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3,5-dimethyl-1-oxo-3,4,4a,5-tetrahydropyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic acid (CAS 866186-68-7) is a chemical compound with the molecular formula C23H25N3O9S and a molecular weight of 519.5 g/mol. IUPAC name: (3S,4S,4aS,5R)-6-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3,5-dimethyl-1-oxo-3,4,4a,5-tetrahydropyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic acid. InChIKey: GXFHAVHBDSPPAG-RCSJJZFMSA-N.

Identity
Molecular formulaC23H25N3O9S
Molecular weight519.5 g/mol
IUPAC name(3S,4S,4aS,5R)-6-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3,5-dimethyl-1-oxo-3,4,4a,5-tetrahydropyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic acid
InChIKeyGXFHAVHBDSPPAG-RCSJJZFMSA-N
SMILESC[C@@H]1[C@@H]2[C@@H]([C@@H](OC(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C)C(=O)O

Computed by PubChem (NCBI)