Products 2126833-17-6
CAS 2126833-17-6 is the registry number for Axareotide. Offered by: MedChemExpress. Available pack sizes: Get quote.
(4R,7S,10S,13R,16S,19S)-19-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-13-[(4-carbamoylphenyl)methyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-10-[4-(methylamino)butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide (CAS 2126833-17-6) is a chemical compound with the molecular formula C54H68ClN11O12S2 and a molecular weight of 1162.8 g/mol. IUPAC name: (4R,7S,10S,13R,16S,19S)-19-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-13-[(4-carbamoylphenyl)methyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-10-[4-(methylamino)butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide. InChIKey: FJCZQLMZHSYIAI-QFQKUWOTSA-N.
| Molecular formula | C54H68ClN11O12S2 |
|---|---|
| Molecular weight | 1162.8 g/mol |
| IUPAC name | (4R,7S,10S,13R,16S,19S)-19-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-13-[(4-carbamoylphenyl)methyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-10-[4-(methylamino)butyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide |
| InChIKey | FJCZQLMZHSYIAI-QFQKUWOTSA-N |
| SMILES | C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCNC)CC2=CC=C(C=C2)C(=O)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC=C(C=C4)Cl)N)C(=O)N[C@H](CC5=CC=C(C=C5)O)C(=O)N)O |
Computed by PubChem (NCBI)