Octreotide Impurity 26

cas: 1926163-78-1 — see every product listed under this CAS number, including other names

Octreotide Impurity 26 (CAS 1926163-78-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-O401926
cas1926163-78-1
sizeon request
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(4R,7S,10S,13R,16S,19R,24R,27S,30S,33R,36S,39S)-10,30-bis(4-aminobutyl)-19,39-bis[[(2R)-2-amino-3-phenylpropanoyl]amino]-16,36-dibenzyl-4-N,24-N-bis[(2R,3R)-1,3-dihydroxybutan-2-yl]-7,27-bis[(1R)-1-hydroxyethyl]-13,33-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,26,29,32,35,38-decaoxo-1,2,21,22-tetrathia-5,8,11,14,17,25,28,31,34,37-decazacyclotetracontane-4,24-dicarboxamide;2,2,2-trifluoroacetic acid (CAS 1926163-78-1) is a chemical compound with the molecular formula C100H133F3N20O22S4 and a molecular weight of 2152.5 g/mol. IUPAC name: (4R,7S,10S,13R,16S,19R,24R,27S,30S,33R,36S,39S)-10,30-bis(4-aminobutyl)-19,39-bis[[(2R)-2-amino-3-phenylpropanoyl]amino]-16,36-dibenzyl-4-N,24-N-bis[(2R,3R)-1,3-dihydroxybutan-2-yl]-7,27-bis[(1R)-1-hydroxyethyl]-13,33-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,26,29,32,35,38-decaoxo-1,2,21,22-tetrathia-5,8,11,14,17,25,28,31,34,37-decazacyclotetracontane-4,24-dicarboxamide;2,2,2-trifluoroacetic acid. InChIKey: KMCKZYFPLRFRPK-WGTYXJJASA-N.

Identity
Molecular formulaC100H133F3N20O22S4
Molecular weight2152.5 g/mol
IUPAC name(4R,7S,10S,13R,16S,19R,24R,27S,30S,33R,36S,39S)-10,30-bis(4-aminobutyl)-19,39-bis[[(2R)-2-amino-3-phenylpropanoyl]amino]-16,36-dibenzyl-4-N,24-N-bis[(2R,3R)-1,3-dihydroxybutan-2-yl]-7,27-bis[(1R)-1-hydroxyethyl]-13,33-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,26,29,32,35,38-decaoxo-1,2,21,22-tetrathia-5,8,11,14,17,25,28,31,34,37-decazacyclotetracontane-4,24-dicarboxamide;2,2,2-trifluoroacetic acid
InChIKeyKMCKZYFPLRFRPK-WGTYXJJASA-N
SMILESC[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)N[C@H](C(=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)N[C@H](CO)[C@@H](C)O)[C@@H](C)O)CCCCN)CC6=CNC7=CC=CC=C76)CC8=CC=CC=C8)NC(=O)[C@@H](CC9=CC=CC=C9)N)C(=O)N[C@H](CO)[C@@H](C)O)O.C(=O)(C(F)(F)F)O

Computed by PubChem (NCBI)

Synonyms: Octreotide trifluoroacetate salt (Dimer, Antiparallel)
Isomers (same molecular formula)
(4R,7S,10S,13R,16S,19R,24R,27S,30R,33S,36S,39R)-10,33-bis(4-aminobutyl)-19,24-bis[[(2R)-2-amino-3-phenylpropanoyl]amino]-16,27-dibenzyl-4-N,39-N-bis[(2R,3R)-1,3-dihydroxybutan-2-yl]-7,36-bis[(1R)-1-hydroxyethyl]-13,30-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,25,28,31,34,37-decaoxo-1,2,21,22-tetrathia-5,8,11,14,17,26,29,32,35,38-decazacyclotetracontane-4,39-dicarboxamide;2,2,2-trifluoroacetic acid C100H133F3N20O22S4

Also listed as

Octreotide trifluoroacetate salt (Dimer, Antiparallel) GLPBio CAS 1926163-78-1
ANTI-PARALLEL DIMER-OCTREOTIDE Sigma-Aldrich CAS 1926163-78-1