Lanreotide Acetate

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For Research Use Only | Not For Clinical Use
CATAPS127984741
CAS127984-74-1
Structure
SynonymsBIM 23014C, Somatulina,L-Threoninamide, 3-(2-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2→7)-disulfide, acetate (1:?), Lanreotide acetate, L-Threoninamide, 3-(2-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2→7)-disulfide, acetate (salt) (9CI), Somatuline, 1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane, cyclic peptide deriv.
IUPAC Nameacetic acid;(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular Weight1156.38
Molecular FormulaC54H69N11O10S2.C2H4O2
Canonical SMILESCC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)NC(=O)[C@H](N)Cc5ccc6ccccc6c5.CC(=O)O
InChIInChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)
InChI KeyDEXPIBGCLCPUHE-HPDHVNDUSA-N
Description≥98% (HPLC)
Accurate Mass1155.4882
Assay≥98% (HPLC)
Colorwhite to off-white
Formpowder
FormatNeat
Size5MG, 25MG
Storage Conditions−20°C
SubcategoryAmino acids
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