Products 2863656-86-2
CAS 2863656-86-2 is the registry number for Menin-MLL inhibitor 31. Offered by: MedChemExpress. Available pack sizes: Get quote.
(3R)-1-[(3S,6S,11S,17S)-6-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[(3-fluorophenyl)methyl]-2,5,13,16-tetraoxospiro[1,4,12,15-tetrazabicyclo[15.3.0]icosane-14,1'-cyclobutane]-11-carbonyl]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pyrrolidine-3-carboxamide (CAS 2863656-86-2) is a chemical compound with the molecular formula C77H119FN28O14 and a molecular weight of 1679.9 g/mol. IUPAC name: (3R)-1-[(3S,6S,11S,17S)-6-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[(3-fluorophenyl)methyl]-2,5,13,16-tetraoxospiro[1,4,12,15-tetrazabicyclo[15.3.0]icosane-14,1'-cyclobutane]-11-carbonyl]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pyrrolidine-3-carboxamide. InChIKey: QHHOXGNGWIOSPN-DWBGUCGJSA-N.
| Molecular formula | C77H119FN28O14 |
|---|---|
| Molecular weight | 1679.9 g/mol |
| IUPAC name | (3R)-1-[(3S,6S,11S,17S)-6-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[(3-fluorophenyl)methyl]-2,5,13,16-tetraoxospiro[1,4,12,15-tetrazabicyclo[15.3.0]icosane-14,1'-cyclobutane]-11-carbonyl]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pyrrolidine-3-carboxamide |
| InChIKey | QHHOXGNGWIOSPN-DWBGUCGJSA-N |
| SMILES | C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H]3CCCC[C@H](NC(=O)C4(CCC4)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC3=O)CC6=CC(=CC=C6)F)C(=O)N7CC[C@H](C7)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)C |
Computed by PubChem (NCBI)
Synonyms:
Menin-MLL inhibitor 31, orb2563736