Products 402955-38-8

CAS 402955-38-8 appears in our catalog under these names: Ertapenem Impurity 11 (Ertapenem Dimer Ester Impurity), Ertapenem Dimer Ester Impurity, Ertapenem Impurity 5. Offered by: Chemat Brand, Hubei YoungXin. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

Ertapenem Impurity 11 (Ertapenem Dimer Ester Impurity)
Chemat Brand
  • size: on request
  • Variants: 1
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Ertapenem Dimer Ester Impurity
Chemat Brand
  • size: on request
  • Variants: 1
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Ertapenem Impurity 5
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(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 (CAS 402955-38-8) 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-[(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. InChIKey: CLTRZTBUDCDKTQ-KXGFPTOCSA-N.

Identity
Molecular formulaC44H50N6O14S2
Molecular weight951.0 g/mol
IUPAC name(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
InChIKeyCLTRZTBUDCDKTQ-KXGFPTOCSA-N
SMILESC[C@@H]1[C@@H](N=C(C1S[C@H]2C[C@H](NC2)C(=O)NC3=CC=CC(=C3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)OC(=O)C4=CC(=CC=C4)NC(=O)[C@@H]5C[C@@H](CN5)SC6=C(N7[C@H]([C@H]6C)[C@H](C7=O)[C@@H](C)O)C(=O)O)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Ertapenem Dimer Ester Impurity, Ertapenem Impurity 11, Ertapenem Impurity 11 (Ertapenem Dimer Ester 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)-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 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