Technical Information |
Synonym: trade name: Somatuline; Lanreotide; Ipstyl; BIM 23014; Somatulin; Lanreotide Autogel. IUPAC/Chemical Name: (4R, 7S, 10S, 13R, 16S, 19R)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-(naphthalen-2-yl)propanamido)-N-((2S, 3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-isopropyl-6, 9, 12, 15, 18-pentaoxo-1, 2-dithia-5, 8, 11, 14, 17-pentaazacycloicosane-4-carboxamide InChi Key: PUDHBTGHUJUUFI-SCTWWAJVSA-N InChi Code: 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)/t30-, 38-, 40+, 41+, 42-, 43+, 44+, 45+, 46+/m1/s1 SMILES Code: CC([CH]1NC([CH](NC([CH](NC([CH](NC([CH](NC([CH](Cc(cc2)cc3c2cccc3)N)=O)CSSC[CH](C(N[CH](C(N)=O)[CH](O)C)=O)NC1=O)=O)Cc4ccc(O)cc4)=O)Cc(c[nH]5)c6c5cccc6)=O)CCCCN)=O)C |