Products 3049680-91-0
CAS 3049680-91-0 is the registry number for DL002. Offered by: MedChemExpress. Available pack sizes: Get quote.
[4-[[(2S)-6-amino-2-[[(2S)-3-methyl-2-[6-[4-(2-methylsulfonylpyrimidin-5-yl)triazol-1-yl]hexanoylamino]butanoyl]amino]hexanoyl]amino]phenyl]methyl [(3R,5S)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] carbonate (CAS 3049680-91-0) is a chemical compound with the molecular formula C109H139ClF3N19O17S5 and a molecular weight of 2240.2 g/mol. IUPAC name: [4-[[(2S)-6-amino-2-[[(2S)-3-methyl-2-[6-[4-(2-methylsulfonylpyrimidin-5-yl)triazol-1-yl]hexanoylamino]butanoyl]amino]hexanoyl]amino]phenyl]methyl [(3R,5S)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] carbonate. InChIKey: ACPDZXNJSKMMDQ-JBUZQTGBSA-N.
| Molecular formula | C109H139ClF3N19O17S5 |
|---|---|
| Molecular weight | 2240.2 g/mol |
| IUPAC name | [4-[[(2S)-6-amino-2-[[(2S)-3-methyl-2-[6-[4-(2-methylsulfonylpyrimidin-5-yl)triazol-1-yl]hexanoylamino]butanoyl]amino]hexanoyl]amino]phenyl]methyl [(3R,5S)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] carbonate |
| InChIKey | ACPDZXNJSKMMDQ-JBUZQTGBSA-N |
| SMILES | CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCC(=O)N4CCN(CC4)CC[C@H](CSC5=CC=CC=C5)NC6=C(C=C(C=C6)S(=O)(=O)NC(=O)C7=CC=C(C=C7)N8CCN(CC8)CC9=C(CCC(C9)(C)C)C1=CC=C(C=C1)Cl)S(=O)(=O)C(F)(F)F)OC(=O)OCC1=CC=C(C=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN1C=C(N=N1)C1=CN=C(N=C1)S(=O)(=O)C |
Computed by PubChem (NCBI)
Synonyms:
orb2665269