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Octreotide-[D-Phe-d8]

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General Information
Catalog: BLP-003628
Molecular Formula: C49H58D8N10O10S2
Molecular Weight: 1027.29

Chemical Structure

Description	Octreotide-[D-Phe-d8] is the labelled analogue of Octreotide, which is a synthetic long-acting cyclic octapeptide used as a more potent inhibitor of growth hormone, glucagon, and insulin than somatostatin.
Synonyms	Octreotide-d8; Octreotide-D-Phe-d8; Octreotide D8; D-phenylalanyl(D8)-L-cystyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-cystyl-L-threoninol (Disulfide Bridge between Cys2-Cys7); H-D-Phe(D8)-Cys-Phe-D-Trp-Lys-Thr-Cys-Thr-ol (Disulfide bridge: Cys2-Cys7); L-Cysteinamide, D-phenylalanyl(D8)-L-cysteinyl-L-phenylalanyl-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)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-(phenyl-d5)propanamido-2,3,3-d3)-10-(4-aminobutyl)-16-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-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/i3D,5D,6D,13D,14D,21D2,34D
InChI Key	DEQANNDTNATYII-FNYLAMALSA-N
Sequence	fCFwKTCT-ol (Disulfide bridge: Cys2-Cys7)