Products 701909-57-1
CAS 701909-57-1 is the registry number for XEN-2174. Offered by: MedChemExpress. Available pack sizes: Get quote.
(1R,4S,8R,10S,13R,18R,21R,27S,30S,33S)-30-(4-aminobutyl)-8-hydroxy-27-[(4-hydroxyphenyl)methyl]-4-(1H-imidazol-5-ylmethyl)-18-[[(2S)-3-methyl-2-[[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]-33-(2-methylpropyl)-2,5,11,19,22,25,28,31,34-nonaoxo-15,16,37,38-tetrathia-3,6,12,20,23,26,29,32,35-nonazatricyclo[19.14.4.06,10]nonatriacontane-13-carboxylic acid (CAS 701909-57-1) is a chemical compound with the molecular formula C58H84N16O17S4 and a molecular weight of 1405.7 g/mol. IUPAC name: (1R,4S,8R,10S,13R,18R,21R,27S,30S,33S)-30-(4-aminobutyl)-8-hydroxy-27-[(4-hydroxyphenyl)methyl]-4-(1H-imidazol-5-ylmethyl)-18-[[(2S)-3-methyl-2-[[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]-33-(2-methylpropyl)-2,5,11,19,22,25,28,31,34-nonaoxo-15,16,37,38-tetrathia-3,6,12,20,23,26,29,32,35-nonazatricyclo[19.14.4.06,10]nonatriacontane-13-carboxylic acid. InChIKey: NPTFRSANEDHJRQ-LRIIMAMNSA-N.
| Molecular formula | C58H84N16O17S4 |
|---|---|
| Molecular weight | 1405.7 g/mol |
| IUPAC name | (1R,4S,8R,10S,13R,18R,21R,27S,30S,33S)-30-(4-aminobutyl)-8-hydroxy-27-[(4-hydroxyphenyl)methyl]-4-(1H-imidazol-5-ylmethyl)-18-[[(2S)-3-methyl-2-[[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]-33-(2-methylpropyl)-2,5,11,19,22,25,28,31,34-nonaoxo-15,16,37,38-tetrathia-3,6,12,20,23,26,29,32,35-nonazatricyclo[19.14.4.06,10]nonatriacontane-13-carboxylic acid |
| InChIKey | NPTFRSANEDHJRQ-LRIIMAMNSA-N |
| SMILES | CC(C)C[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC3=CC=C(C=C3)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC5=CN=CN5)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]6CCC(=O)N6 |
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