Products 302794-43-0
CAS 302794-43-0 appears in our catalog under these names: (Tyr3)Octreotate acetate, (Tyr3)Octreotate/ 98.21% (existing batch purity), [Tyr3]Octreotate, Tyr3-Octreotate, 99.76%. Offered by: Creative Peptides, TargetMol, Chemat, MedChemExpress. Available pack sizes: on request, 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 10 mg.
(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid (CAS 302794-43-0) is a chemical compound with the molecular formula C49H64N10O12S2 and a molecular weight of 1049.2 g/mol. IUPAC name: (2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid. InChIKey: QGZGIBMEBJNHKH-XNHQACNRSA-N.
| Molecular formula | C49H64N10O12S2 |
|---|---|
| Molecular weight | 1049.2 g/mol |
| IUPAC name | (2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid |
| InChIKey | QGZGIBMEBJNHKH-XNHQACNRSA-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=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)O |
Computed by PubChem (NCBI)