Products 3077918-44-3

CAS 3077918-44-3 is the registry number for BION106. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[4-[2-[2-[2-[2-[3-[2-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-methoxyphenyl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide (CAS 3077918-44-3) is a chemical compound with the molecular formula C57H69Cl2F2N9O9 and a molecular weight of 1133.1 g/mol. IUPAC name: (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[4-[2-[2-[2-[2-[3-[2-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-methoxyphenyl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide. InChIKey: OGYCDWPQPLDMMD-RVUNVVNYSA-N.

Identity
Molecular formulaC57H69Cl2F2N9O9
Molecular weight1133.1 g/mol
IUPAC name(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[4-[2-[2-[2-[2-[3-[2-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]propanoylamino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-methoxyphenyl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
InChIKeyOGYCDWPQPLDMMD-RVUNVVNYSA-N
SMILESCCC1=C(C(=NC(=N1)N)N)OCCCOC2=CC=CC=C2CCC(=O)NCCOCCOCCOCCNC(=O)C3=CC(=C(C=C3)NC(=O)[C@H]4[C@@H]([C@@]([C@@H](N4)CC(C)(C)C)(C#N)C5=C(C=C(C=C5)Cl)F)C6=C(C(=CC=C6)Cl)F)OC

Computed by PubChem (NCBI)

Synonyms: orb3175300