(2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²¹¹.0⁴⁹.0¹⁵²º]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methylsulfanyl]ethylsulfanylmethylamino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-N'-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide CAS 2414594-37-7

Description

Structurally, (2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²¹¹.0⁴⁹.0¹⁵²º]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methylsulfanyl]ethylsulfanylmethylamino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-N'-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide (C53H68FN9O17S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 24.0, corresponding to approximately 24 ring(s) or double-bond equivalent(s). With a molecular weight of 1186.29 g/mol, it falls into the high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

(2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²¹¹.0⁴⁹.0¹⁵²º]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methylsulfanyl]ethylsulfanylmethylamino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-N'-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide (CAS 2414594-37-7), molecular formula C53H68FN9O17S2 and molecular weight 1186.29 g/mol, is a CATO reference standard with documented purity and traceability.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

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