Products 3052836-65-1

CAS 3052836-65-1 is the registry number for MCC-AAQ-Exa, 95.33%. Offered by: MedChemExpress. Available pack sizes: 5 mg, 25 mg, 10 mg, 100 mg, 50 mg.

Structural formula: {0} (CAS {1})

(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propanoyl]amino]propanoyl]amino]-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]pentanediamide (CAS 3052836-65-1) is a chemical compound with the molecular formula C47H53FN8O11 and a molecular weight of 925.0 g/mol. IUPAC name: (2S)-2-[[(2S)-2-[[(2S)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propanoyl]amino]propanoyl]amino]-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]pentanediamide. InChIKey: KAJCHRAGZCRJCU-UNTWSSKNSA-N.

Identity
Molecular formulaC47H53FN8O11
Molecular weight925.0 g/mol
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propanoyl]amino]propanoyl]amino]-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]pentanediamide
InChIKeyKAJCHRAGZCRJCU-UNTWSSKNSA-N
SMILESCC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C7CCC(CC7)CN8C(=O)C=CC8=O)O

Computed by PubChem (NCBI)

Synonyms: MCC-AAQ-Exa, orb3135703