CAS 2769753-53-7 appears in our catalog under these names: DB-1113, 98%, DB1113, (2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-(4-{5-[(8-methyl-6-{2-methyl-5-[3-(trifluoromethyl)benzamido]phenyl}-7-oxo-5H,6H,7H,8H-pyrimido[4,5-d][1,3]diazin-2-yl)amino]pyridin-2-yl}piperazin-1-yl)pentanamido]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide, 99%, 99%, DB1113, 99.86%. Offered by: AmBeed, GLPBio, Chemat, MedChemExpress. Available pack sizes: 10mg, 5mg, 1mg, 5 mg, 10 mg.
(2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[4-[5-[[1-methyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-2-pyridinyl]piperazin-1-yl]pentanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (CAS 2769753-53-7) is a chemical compound with the molecular formula C59H68F3N13O6S and a molecular weight of 1144.3 g/mol. IUPAC name: (2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[4-[5-[[1-methyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-2-pyridinyl]piperazin-1-yl]pentanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide. InChIKey: BTJSSCWASCIGSE-OWEXABFXSA-N.
| Molecular formula | C59H68F3N13O6S |
|---|---|
| Molecular weight | 1144.3 g/mol |
| IUPAC name | (2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[4-[5-[[1-methyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-2-pyridinyl]piperazin-1-yl]pentanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide |
| InChIKey | BTJSSCWASCIGSE-OWEXABFXSA-N |
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CN=C(C=C5)N6CCN(CC6)CCCCC(=O)N[C@H](C(=O)N7C[C@@H](C[C@H]7C(=O)N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)O)C(C)(C)C |
Computed by PubChem (NCBI)