β-D-Glucuronylmonomethylauristatin E

cas: 2353529-47-0 — see every product listed under this CAS number, including other names

β-D-Glucuronylmonomethylauristatin E (CAS 2353529-47-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas2353529-47-0
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1S,2R)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-1-phenylpropoxy]oxane-2-carboxylic acid (CAS 2353529-47-0) is a chemical compound with the molecular formula C45H75N5O13 and a molecular weight of 894.1 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1S,2R)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-1-phenylpropoxy]oxane-2-carboxylic acid. InChIKey: LFXFXWTUDSTCEC-UPYLUOQKSA-N.

Identity
Molecular formulaC45H75N5O13
Molecular weight894.1 g/mol
IUPAC name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1S,2R)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-1-phenylpropoxy]oxane-2-carboxylic acid
InChIKeyLFXFXWTUDSTCEC-UPYLUOQKSA-N
SMILESCC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

Computed by PubChem (NCBI)

Synonyms: MMAU, orb2944283

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