Pemetrexed Impurity 49

cas: 883553-87-5 — see every product listed under this CAS number, including other names

Pemetrexed Impurity 49 (CAS 883553-87-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-P132075
cas883553-87-5
sizeon request
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Structural formula: {0} (CAS {1})

(2S)-2-[[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid (CAS 883553-87-5) is a chemical compound with the molecular formula C25H28N6O9 and a molecular weight of 556.5 g/mol. IUPAC name: (2S)-2-[[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid. InChIKey: SCSYVKUGSLVCGD-HOTGVXAUSA-N.

Identity
Molecular formulaC25H28N6O9
Molecular weight556.5 g/mol
IUPAC name(2S)-2-[[(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
InChIKeySCSYVKUGSLVCGD-HOTGVXAUSA-N
SMILESC1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Pemetrexed L-Glutamyl-L-glutamic Acid
Isomers (same molecular formula)
(2S)-2-[[(4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid C25H28N6O9

Also listed as

Pemetrexed L-Glutamyl-L-glutamic Acid TRC CAS 883553-87-5