Products 3050872-59-5

CAS 3050872-59-5 is the registry number for MS8847, 99.78%. Offered by: MedChemExpress. Available pack sizes: 5 mg, 25 mg, 1 mg, 10 mg.

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

(2S,4R)-1-[(2S)-2-[11-[3-[4-[[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl(oxan-4-yl)amino]-4-methylphenyl]phenyl]methyl]piperazin-1-yl]propanoylamino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CAS 3050872-59-5) is a chemical compound with the molecular formula C70H98N10O8S and a molecular weight of 1239.7 g/mol. IUPAC name: (2S,4R)-1-[(2S)-2-[11-[3-[4-[[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl(oxan-4-yl)amino]-4-methylphenyl]phenyl]methyl]piperazin-1-yl]propanoylamino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide. InChIKey: DGCDZRAZXAUSDI-HTYMRSPFSA-N.

Identity
Molecular formulaC70H98N10O8S
Molecular weight1239.7 g/mol
IUPAC name(2S,4R)-1-[(2S)-2-[11-[3-[4-[[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl(oxan-4-yl)amino]-4-methylphenyl]phenyl]methyl]piperazin-1-yl]propanoylamino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
InChIKeyDGCDZRAZXAUSDI-HTYMRSPFSA-N
SMILESCCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCN(CC5)CCC(=O)NCCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@@H](C[C@H]6C(=O)NCC7=CC=C(C=C7)C8=C(N=CS8)C)O)C(C)(C)C

Computed by PubChem (NCBI)

Synonyms: orb3133590