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Substance Name: Somatostatin, 5-fluoro-trp(8)-
RN: 66582-76-1
InChIKey: XATWTOKVNAMISY-XEKBYUQMSA-N

Molecular Formula

  • C76-H103-F-N18-O19-S2

Molecular Weight

  • 1655.8867
 
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Names and Synonyms

Name of Substance

  • Somatostatin, 5-fluoro-trp(8)-

Synonyms

  • 5-F-8-Trp-somatostatin
  • 8-(5-Fluorotryptophan)-somatostatin
  • Somatostatin, 5-fluorotryptophan(8)-

Systematic Name

  • Somatostatin (sheep), 8-(5-fluoro-L-tryptophan)-

Registry Numbers

CAS Registry Number

  • 66582-76-1

System Generated Number

  • 0066582761

Structure Descriptors

InChI

1S/C76H103FN18O19S2/c1-40(80)64(101)83-36-61(100)84-58-38-115-116-39-59(76(113)114)93-72(109)57(37-96)92-75(112)63(42(3)98)95-71(108)54(31-45-21-11-6-12-22-45)91-74(111)62(41(2)97)94-66(103)51(24-14-16-28-79)85-69(106)55(32-46-35-82-49-26-25-47(77)33-48(46)49)89-68(105)53(30-44-19-9-5-10-20-44)87-67(104)52(29-43-17-7-4-8-18-43)88-70(107)56(34-60(81)99)90-65(102)50(86-73(58)110)23-13-15-27-78/h4-12,17-22,25-26,33,35,40-42,50-59,62-63,82,96-98H,13-16,23-24,27-32,34,36-39,78-80H2,1-3H3,(H2,81,99)(H,83,101)(H,84,100)(H,85,106)(H,86,110)(H,87,104)(H,88,107)(H,89,105)(H,90,102)(H,91,111)(H,92,112)(H,93,109)(H,94,103)(H,95,108)(H,113,114)/t40-,41+,42+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1

InChIKey

XATWTOKVNAMISY-XEKBYUQMSA-N

Smiles

C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc6ccccc6)NC1=O)[C@@H](C)O)C(=O)O)NC(=O)CNC(=O)[C@H](C)N