CAS 331714-57-9 is the registry number for Palicourein. Offered by: MedChemExpress. Available pack sizes: Get quote.
3-[(aS,1R,3aS,4S,6aS,7R,9aS,10S,12aS,13S,16S,19S,22S,28S,31R,34S,37S,40S,46S,52S,55S,58S,61R,67S,70S,73R,76S,79S,82S,88S,91S,94R,97S)-34-(4-aminobutyl)-40-(2-amino-2-oxoethyl)-58-benzyl-82-[(2S)-butan-2-yl]-16,37,76-tris(3-carbamimidamidopropyl)-10,13,22,46-tetrakis(carboxymethyl)-4,55,70,97-tetrakis[(1R)-1-hydroxyethyl]-3a,19-bis(hydroxymethyl)-a-[(4-hydroxyphenyl)methyl]-6a,9a-dimethyl-12a,28-bis(2-methylpropyl)-1a,2,4a,5,7a,8,10a,11,13a,14,16a,17,20,23,26,29,32,35,38,41,44,47,53,56,59,62,65,68,71,74,77,80,83,89,92,95,98-heptatriacontaoxo-79,91-di(propan-2-yl)-19a,20a,23a,24a,27a,28a-hexathia-2a,3,5a,6,8a,9,11a,12,14a,15,17a,18,21,24,27,30,33,36,39,42,45,48,54,57,60,63,66,69,72,75,78,81,84,90,93,96,99-heptatriacontazahexacyclo[59.56.4.47,73.431,94.048,52.084,88]nonacosahectan-67-yl]propanoic acid (CAS 331714-57-9) is a chemical compound with the molecular formula C159H248N48O55S6 and a molecular weight of 3904.4 g/mol. IUPAC name: 3-[(aS,1R,3aS,4S,6aS,7R,9aS,10S,12aS,13S,16S,19S,22S,28S,31R,34S,37S,40S,46S,52S,55S,58S,61R,67S,70S,73R,76S,79S,82S,88S,91S,94R,97S)-34-(4-aminobutyl)-40-(2-amino-2-oxoethyl)-58-benzyl-82-[(2S)-butan-2-yl]-16,37,76-tris(3-carbamimidamidopropyl)-10,13,22,46-tetrakis(carboxymethyl)-4,55,70,97-tetrakis[(1R)-1-hydroxyethyl]-3a,19-bis(hydroxymethyl)-a-[(4-hydroxyphenyl)methyl]-6a,9a-dimethyl-12a,28-bis(2-methylpropyl)-1a,2,4a,5,7a,8,10a,11,13a,14,16a,17,20,23,26,29,32,35,38,41,44,47,53,56,59,62,65,68,71,74,77,80,83,89,92,95,98-heptatriacontaoxo-79,91-di(propan-2-yl)-19a,20a,23a,24a,27a,28a-hexathia-2a,3,5a,6,8a,9,11a,12,14a,15,17a,18,21,24,27,30,33,36,39,42,45,48,54,57,60,63,66,69,72,75,78,81,84,90,93,96,99-heptatriacontazahexacyclo[59.56.4.47,73.431,94.048,52.084,88]nonacosahectan-67-yl]propanoic acid. InChIKey: CFRTULIKXDWFLG-AGMMIYIUSA-N.
| Molecular formula | C159H248N48O55S6 |
|---|---|
| Molecular weight | 3904.4 g/mol |
| IUPAC name | 3-[(aS,1R,3aS,4S,6aS,7R,9aS,10S,12aS,13S,16S,19S,22S,28S,31R,34S,37S,40S,46S,52S,55S,58S,61R,67S,70S,73R,76S,79S,82S,88S,91S,94R,97S)-34-(4-aminobutyl)-40-(2-amino-2-oxoethyl)-58-benzyl-82-[(2S)-butan-2-yl]-16,37,76-tris(3-carbamimidamidopropyl)-10,13,22,46-tetrakis(carboxymethyl)-4,55,70,97-tetrakis[(1R)-1-hydroxyethyl]-3a,19-bis(hydroxymethyl)-a-[(4-hydroxyphenyl)methyl]-6a,9a-dimethyl-12a,28-bis(2-methylpropyl)-1a,2,4a,5,7a,8,10a,11,13a,14,16a,17,20,23,26,29,32,35,38,41,44,47,53,56,59,62,65,68,71,74,77,80,83,89,92,95,98-heptatriacontaoxo-79,91-di(propan-2-yl)-19a,20a,23a,24a,27a,28a-hexathia-2a,3,5a,6,8a,9,11a,12,14a,15,17a,18,21,24,27,30,33,36,39,42,45,48,54,57,60,63,66,69,72,75,78,81,84,90,93,96,99-heptatriacontazahexacyclo[59.56.4.47,73.431,94.048,52.084,88]nonacosahectan-67-yl]propanoic acid |
| InChIKey | CFRTULIKXDWFLG-AGMMIYIUSA-N |
| SMILES | CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H]3CSSC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]6CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC6=O)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N4)CC(C)C)CC(=O)O)CO)CCCNC(=N)N)CC(=O)O)CC(=O)O)[C@@H](C)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)[C@@H](C)O)CC7=CC=C(C=C7)O)CO)C)C)CC(C)C)CC8=CC=CC=C8)[C@@H](C)O)CC(=O)O)CC(=O)N)CCCNC(=N)N)CCCCN)C(C)C |
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