Name: (Tyr3)Octreotate acetate
Brand: Creative Peptides
SKU: CP-M34140639H

brand	Creative Peptides
catalog number	CP-M34140639H
cas	302794-43-0
size	on request

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properties

purity	No data
delivery time	To be confirmed by Chemat

2D
3D

(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.

Identity
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)

Synonyms: [Tyr3]octreotate, Tyr3-Octreotate, orb1741342

Also listed as

(Tyr3)Octreotate/ 98.21% (existing batch purity) TargetMol CAS 302794-43-0

[Tyr3]Octreotate Chemat CAS 302794-43-0

Tyr3-Octreotate, 99.76% MedChemExpress CAS 302794-43-0