Products 1401451-19-1

CAS 1401451-19-1 appears in our catalog under these names: Ertapenem Impurity 3, Ertapenem Impurity 20. Offered by: Chemat Brand. Available pack sizes: on request.

Ertapenem Impurity 3
Chemat Brand
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  • Variants: 1
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Ertapenem Impurity 20
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

3-[[(2S,4S)-4-[[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]disulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbonyl]amino]benzoic acid (CAS 1401451-19-1) is a chemical compound with the molecular formula C40H36N6O14S2 and a molecular weight of 888.9 g/mol. IUPAC name: 3-[[(2S,4S)-4-[[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]disulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbonyl]amino]benzoic acid. InChIKey: JMUFLBGLVXYUIV-CUPIEXAXSA-N.

Identity
Molecular formulaC40H36N6O14S2
Molecular weight888.9 g/mol
IUPAC name3-[[(2S,4S)-4-[[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]disulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbonyl]amino]benzoic acid
InChIKeyJMUFLBGLVXYUIV-CUPIEXAXSA-N
SMILESC1[C@@H](CN([C@@H]1C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SS[C@H]4C[C@H](N(C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C(=O)NC6=CC=CC(=C6)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Ertapenem Impurity 3