Products 2220995-07-1

CAS 2220995-07-1 is the registry number for Ertapenem Impurity 40. Offered by: Chemat Brand. Available pack sizes: on request.

Ertapenem Impurity 40
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3R,4R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid (CAS 2220995-07-1) is a chemical compound with the molecular formula C22H27N3O8S and a molecular weight of 493.5 g/mol. IUPAC name: (2S,3R,4R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid. InChIKey: MLCVCXYVRPDWBV-XHPDHABJSA-N.

Identity
Molecular formulaC22H27N3O8S
Molecular weight493.5 g/mol
IUPAC name(2S,3R,4R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
InChIKeyMLCVCXYVRPDWBV-XHPDHABJSA-N
SMILESC[C@H]1[C@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)NC3=CC=CC(=C3)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Ertapenem Impurity 40
Related forms of this compound
(3R)-2-[(1R,2R)-1-carboxy-2-hydroxypropyl]-4-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid C22H27N3O8S
Isomers (same molecular formula)
(2S,3R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid C22H27N3O8S