Products 80801-54-3

CAS 80801-54-3 is the registry number for Methotrexate Pentaglutamate. Offered by: Chemat Brand. Available pack sizes: on request.

Methotrexate Pentaglutamate
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid (CAS 80801-54-3) is a chemical compound with the molecular formula C40H50N12O17 and a molecular weight of 970.9 g/mol. IUPAC name: (2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid. InChIKey: SZLWAWGNNSPTLK-KEOOTSPTSA-N.

Identity
Molecular formulaC40H50N12O17
Molecular weight970.9 g/mol
IUPAC name(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid
InChIKeySZLWAWGNNSPTLK-KEOOTSPTSA-N
SMILESCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Methotrexate Pentaglutamate