CAS 2126831-23-8 appears in our catalog under these names: Veldoreotide TFA, Veldoreotide (TFA), 98.97%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 10mg, 5mg, 10 mg, 5 mg, 1 mg.
2-[(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,18-dibenzyl-6-[(1R)-1-hydroxyethyl]-12,15-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,25-octaoxo-1,4,7,10,13,16,19,24-octazacyclooctacos-1-yl]acetamide;2,2,2-trifluoroacetic acid (CAS 2126831-23-8) is a chemical compound with the molecular formula C62H75F3N12O12 and a molecular weight of 1237.3 g/mol. IUPAC name: 2-[(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,18-dibenzyl-6-[(1R)-1-hydroxyethyl]-12,15-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,25-octaoxo-1,4,7,10,13,16,19,24-octazacyclooctacos-1-yl]acetamide;2,2,2-trifluoroacetic acid. InChIKey: KMXURQSBSDDSPX-NTYYTJCMSA-N.
| Molecular formula | C62H75F3N12O12 |
|---|---|
| Molecular weight | 1237.3 g/mol |
| IUPAC name | 2-[(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,18-dibenzyl-6-[(1R)-1-hydroxyethyl]-12,15-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,25-octaoxo-1,4,7,10,13,16,19,24-octazacyclooctacos-1-yl]acetamide;2,2,2-trifluoroacetic acid |
| InChIKey | KMXURQSBSDDSPX-NTYYTJCMSA-N |
| SMILES | C[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CCCC(=O)NCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6)CC(=O)N)CC7=CC=CC=C7)O.C(=O)(C(F)(F)F)O |
Computed by PubChem (NCBI)