Ertapenem Dimer II

cas: 1199797-42-6 — see every product listed under this CAS number, including other names

Ertapenem Dimer II (CAS 1199797-42-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULE071012
cas1199797-42-6
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

(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]sulfanyl-3-methyl-2,3-dihydropyrrole-1-carbonyl]phenyl]carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CAS 1199797-42-6) is a chemical compound with the molecular formula C44H50N6O14S2 and a molecular weight of 951.0 g/mol. IUPAC name: (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]sulfanyl-3-methyl-2,3-dihydropyrrole-1-carbonyl]phenyl]carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid. InChIKey: ATXZKQUYOZAYTG-BNCIILEKSA-N.

Identity
Molecular formulaC44H50N6O14S2
Molecular weight951.0 g/mol
IUPAC name(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]sulfanyl-3-methyl-2,3-dihydropyrrole-1-carbonyl]phenyl]carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
InChIKeyATXZKQUYOZAYTG-BNCIILEKSA-N
SMILESC[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)N5[C@H]([C@H](C(=C5C(=O)O)S[C@H]6C[C@H](NC6)C(=O)NC7=CC=CC(=C7)C(=O)O)C)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)[C@@H](C)O

Computed by PubChem (NCBI)

Synonyms: Ertapenem Dimer III, Ertapenem Dimer Amide Impurity, Ertapenem Impurity 7 (Ertapenem Dimer Amide Impurity)
Isomers (same molecular formula)
(4R,5S,6S)-3-[(3S,5S)-1-[(2S,3R)-2-[(2S,3R)-5-carboxy-4-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxybutanoyl]-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid C44H50N6O14S2
(4R,5S,6S)-3-[(3S,5S)-1-[(2S,3R)-2-[(2S,3R)-5-carboxy-4-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]-3-hydroxybutanoyl]-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid C44H50N6O14S2
(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]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yl]oxycarbonylphenyl]carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid C44H50N6O14S2

Also listed as

Ertapenem Impurity 4 Hubei YoungXin CAS 1199797-42-6