Products 2549046-46-8
CAS 2549046-46-8 is the registry number for KS-58. Offered by: MedChemExpress. Available pack sizes: Get quote.
2-[(1S,4S,7S,13S,16S,19S,22S,25R,28S,31S)-28-butyl-16-[(4-fluorophenyl)methyl]-22-heptyl-19-(hydroxymethyl)-4-(1H-indol-3-ylmethyl)-3,6,12,15,18,21,24,27,30,36,40-undecaoxo-42,46-dithia-2,5,11,14,17,20,23,26,29,35,39-undecazatetracyclo[23.15.7.07,11.031,35]heptatetracontan-13-yl]acetic acid (CAS 2549046-46-8) is a chemical compound with the molecular formula C64H89FN12O14S2 and a molecular weight of 1333.6 g/mol. IUPAC name: 2-[(1S,4S,7S,13S,16S,19S,22S,25R,28S,31S)-28-butyl-16-[(4-fluorophenyl)methyl]-22-heptyl-19-(hydroxymethyl)-4-(1H-indol-3-ylmethyl)-3,6,12,15,18,21,24,27,30,36,40-undecaoxo-42,46-dithia-2,5,11,14,17,20,23,26,29,35,39-undecazatetracyclo[23.15.7.07,11.031,35]heptatetracontan-13-yl]acetic acid. InChIKey: GMYHLYYDPRAGER-KHWZEQBASA-N.
| Molecular formula | C64H89FN12O14S2 |
|---|---|
| Molecular weight | 1333.6 g/mol |
| IUPAC name | 2-[(1S,4S,7S,13S,16S,19S,22S,25R,28S,31S)-28-butyl-16-[(4-fluorophenyl)methyl]-22-heptyl-19-(hydroxymethyl)-4-(1H-indol-3-ylmethyl)-3,6,12,15,18,21,24,27,30,36,40-undecaoxo-42,46-dithia-2,5,11,14,17,20,23,26,29,35,39-undecazatetracyclo[23.15.7.07,11.031,35]heptatetracontan-13-yl]acetic acid |
| InChIKey | GMYHLYYDPRAGER-KHWZEQBASA-N |
| SMILES | CCCCCCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H]3CSCCCSC[C@@H](C(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)CCNC3=O)CCCC)CC5=CNC6=CC=CC=C65)CC(=O)O)CC7=CC=C(C=C7)F)CO |
Computed by PubChem (NCBI)
Synonyms:
orb2813708