[PHE(AC)]1-OCTREOTIDE

cas: 83795-61-3 — see every product listed under this CAS number, including other names

[PHE(AC)]1-OCTREOTIDE (CAS 83795-61-3) is a chemical reagent available from Chemat. Available pack sizes: 10MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog number1009303-10MG
cas83795-61-3
size10MG
availability availability
Documents: Safety Data Sheet (MSDS)
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Available pack sizes

brand size price
Sigma-Aldrich 10MG 3628.00 Pln

properties

purityNo data
delivery time1-2 weeks (only if in stock, to check click on availability)
Structural formula: {0} (CAS {1})

(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 (CAS 83795-61-3) 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)-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. InChIKey: MXXTWEOVDHOTKS-WSBRKJKKSA-N.

Identity
Molecular formulaC51H68N10O11S2
Molecular weight1061.3 g/mol
IUPAC name(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
InChIKeyMXXTWEOVDHOTKS-WSBRKJKKSA-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)NC(=O)C)C(=O)N[C@H](CO)[C@@H](C)O)O

Computed by PubChem (NCBI)

Synonyms: Acetyl-Octreotide, Acetyl-Octreotide acetate salt, Octreotide EP Impurity I (N2.1-Acetyloctreotide)
Isomers (same molecular formula)
(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 C51H68N10O11S2
[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

Also listed as

Octreotide EP Impurity I (N2.1-acetyloctreotide) Chemat Brand CAS 83795-61-3
Octreotide EP Impurity I Chemat Brand CAS 83795-61-3
Octreotide Acetate Impurity 1 (N-Acetyl-Phe-Octreotide) Hubei YoungXin CAS 83795-61-3
Acetyl–Octreotide GLPBio CAS 83795-61-3
N-ACETYL-PHE-OCTREOTIDE TRIFLUOROACETAT& Sigma-Aldrich CAS 83795-61-3
Acetyl-Octreotide MedChemExpress CAS 83795-61-3