Octreotide Impurity 13

cas: 1546983-33-8 — see every product listed under this CAS number, including other names

Octreotide Impurity 13 (CAS 1546983-33-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-O401919
cas1546983-33-8
sizeon request
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Structural formula: {0} (CAS {1})

(4R,7S,10S,13R,16S,19R)-N-acetyl-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-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-carboxamide (CAS 1546983-33-8) is a chemical compound with the molecular formula C51H68N10O11S2 and a molecular weight of 1061.3 g/mol. IUPAC name: (4R,7S,10S,13R,16S,19R)-N-acetyl-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-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-carboxamide. InChIKey: ARRHMGVAVQZELR-SPNVPKOWSA-N.

Identity
Molecular formulaC51H68N10O11S2
Molecular weight1061.3 g/mol
IUPAC name(4R,7S,10S,13R,16S,19R)-N-acetyl-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-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-carboxamide
InChIKeyARRHMGVAVQZELR-SPNVPKOWSA-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)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(=O)C)O

Computed by PubChem (NCBI)

Synonyms: Octreotide Impurity 13
Isomers (same molecular formula)
[2-[[10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutyl] acetate C51H68N10O11S2
(4R,7S,10S,13R,16S,19R)-19-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-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-carboxamide C51H68N10O11S2

Also listed as

Octreotide Acetate Impurity 8 Hubei YoungXin CAS 1546983-33-8
Octreotide Impurity 5 Chemat Brand CAS 1546983-33-8