Products 160841-00-9
CAS 160841-00-9 is the registry number for Des-threoninol-octreotide. Offered by: MedChemExpress. Available pack sizes: Get quote.
(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid (CAS 160841-00-9) is a chemical compound with the molecular formula C45H57N9O9S2 and a molecular weight of 932.1 g/mol. IUPAC name: (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid. InChIKey: KDRDDUWNTUSPFR-PYGGULKBSA-N.
| Molecular formula | C45H57N9O9S2 |
|---|---|
| Molecular weight | 932.1 g/mol |
| IUPAC name | (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid |
| InChIKey | KDRDDUWNTUSPFR-PYGGULKBSA-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)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)O)O |
Computed by PubChem (NCBI)
Synonyms:
Octreotide Impurity 38, orb3180521