Products 3026993-53-0
CAS 3026993-53-0 is the registry number for IL-23 cyclic peptide inhibitor 105. Offered by: MedChemExpress. Available pack sizes: Get quote.
(4S)-4-[[4-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19R)-7-[4-[acetyl(methyl)amino]butyl]-16-[2-(dimethylamino)-2-oxoethyl]-13-[(1R)-1-hydroxyethyl]-3,3,20,20-tetramethyl-10-[(7-methyl-1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-19-[(2,2,2-trifluoroacetyl)amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]oxane-4-carbonyl]amino]-5-[[(2S)-4-amino-1-[[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1-oxo-3-pyridin-3-ylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid (CAS 3026993-53-0) is a chemical compound with the molecular formula C97H131F3N20O22S2 and a molecular weight of 2050.3 g/mol. IUPAC name: (4S)-4-[[4-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19R)-7-[4-[acetyl(methyl)amino]butyl]-16-[2-(dimethylamino)-2-oxoethyl]-13-[(1R)-1-hydroxyethyl]-3,3,20,20-tetramethyl-10-[(7-methyl-1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-19-[(2,2,2-trifluoroacetyl)amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]oxane-4-carbonyl]amino]-5-[[(2S)-4-amino-1-[[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1-oxo-3-pyridin-3-ylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid. InChIKey: SSTXRDWZVNRLFA-BUSRTQCPSA-N.
| Molecular formula | C97H131F3N20O22S2 |
|---|---|
| Molecular weight | 2050.3 g/mol |
| IUPAC name | (4S)-4-[[4-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19R)-7-[4-[acetyl(methyl)amino]butyl]-16-[2-(dimethylamino)-2-oxoethyl]-13-[(1R)-1-hydroxyethyl]-3,3,20,20-tetramethyl-10-[(7-methyl-1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-19-[(2,2,2-trifluoroacetyl)amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]oxane-4-carbonyl]amino]-5-[[(2S)-4-amino-1-[[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1-oxo-3-pyridin-3-ylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid |
| InChIKey | SSTXRDWZVNRLFA-BUSRTQCPSA-N |
| SMILES | CC1=C2C(=CC=C1)C(=CN2)C[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(SSC([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)[C@@H](C)O)CC(=O)N(C)C)NC(=O)C(F)(F)F)(C)C)(C)C)C(=O)N[C@@H](CC4=CC=C(C=C4)OCCN(C)C)C(=O)N[C@@H](CC5=CC6=CC=CC=C6C=C5)C(=O)NC7(CCOCC7)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC8=CN=CC=C8)C(=O)N(C)CC(=O)N(C)C)CCCCN(C)C(=O)C |
Computed by PubChem (NCBI)
Synonyms:
orb3142665