Iodo-Tyr(1)-Somatostatin
[CAS# 82599-24-4]

Identification

• Name: Iodo-Tyr(1)-Somatostatin
• Synonyms: 1-Iodotyrosine-Somatostatin; Somatostatin, 1-(3-(Iodo-125I)-L-Tyrosine)-; Somatostatin, Iodo-Tyr(1)-
• Molecular Formula: C₈₂H₁₀₇IN₁₈O₂₀S₂
• Molecular Weight: 1855.88
• CAS Registry Number: 82599-24-4
• SMILES: [C@H]3(CCCCN)C(N[C@@H](CC(=O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC1=C[NH]C2=C1C=CC=C2)C(N[C@H](C(=O)NC(C(=O)N[C@H](C(NC(C(=O)N[C@H](C(N[C@@H](CSSC[C@@H](C(=O)N3)NC(CNC(=O)[C@H](CC4=CC=C(C(=C4)[125I])O)N)=O)C(=O)O)=O)CO)[C@H](O)C)=O)CC5=CC=CC=C5)[C@H](O)C)CCCCN)=O)CC6=CC=CC=C6)CC7=CC=CC=C7)=O
• InChI: 1S/C82H107IN18O20S2/c1-44(103)68-80(118)97-59(36-48-22-10-5-11-23-48)77(115)101-69(45(2)104)81(119)98-62(41-102)78(116)99-64(82(120)121)43-123-122-42-63(90-67(107)40-89-70(108)53(86)33-49-28-29-65(105)52(83)32-49)79(117)92-55(26-14-16-30-84)71(109)96-61(38-66(87)106)76(114)94-57(34-46-18-6-3-7-19-46)73(111)93-58(35-47-20-8-4-9-21-47)74(112)95-60(37-50-39-88-54-25-13-12-24-51(50)54)75(113)91-56(72(110)100-68)27-15-17-31-85/h3-13,18-25,28-29,32,39,44-45,53,55-64,68-69,88,102-105H,14-17,26-27,30-31,33-38,40-43,84-86H2,1-2H3,(H2,87,106)(H,89,108)(H,90,107)(H,91,113)(H,92,117)(H,93,111)(H,94,114)(H,95,112)(H,96,109)(H,97,118)(H,98,119)(H,99,116)(H,100,110)(H,101,115)(H,120,121)/t44-,45-,53+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,68?,69?/m1/s1/i83-2
• InChIKey: BDQVALHNADALIA-ZYYPTIMHSA-N