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Octreotide-[Phe3-(ring-d5)]

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General Information
Catalog: BLP-014096
CAS: 1134880-79-7
Molecular Formula: C49H61D5N10O10S2
Molecular Weight: 1024.27

Chemical Structure

Synonyms	([ring-D5]Phe3)-SMS-201-995; H-D-Phe-Cys-[ring-D5]Phe-D-Trp-Lys-Thr-Cys-L-threoninol (Disulfide bridge: Cys2-Cys7); ([ring-D5]Phe3)-Octreotide; (D-Phe5,Cys6,11,[ring-D5]Phe7,D-Trp8,L-Threoninol12)-Somatostatin-14 (5-12); D-phenylalanyl-L-cysteinyl-L-phenylalanyl-[ring-D5]-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-threoninol (2->7)-disulfide; L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-2,3,4,5,6-d5-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-, cyclic (2→7)-disulfide
IUPAC Name	(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-[(2,3,4,5,6-pentadeuteriophenyl)methyl]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Related CAS	83150-76-9 (unlabelled)
Canonical SMILES	CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O
InChI	InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1/i4D,7D,8D,15D,16D
InChI Key	DEQANNDTNATYII-MPUHZYHASA-N
Purity	≥95%
Solubility	Soluble in DMSO, Water
Appearance	White Powder
Storage	Store at -20°C
Sequence	FCFWKTCT-ol (Disulfide bridge: Cys2-Cys7)