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Substance Name: Sdz 223228
RN: 178181-50-5
InChIKey: GSQBFARGQMLSDX-WKNBUZDASA-N

Molecular Formula

  • C52-H69-F-N10-O11-S2

Molecular Weight

  • 1093.31
 
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Names and Synonyms

Name of Substance

  • Sdz 223228

Synonyms

  • 1-(2-Fluoropropionyl)-phe-octreotide
  • N-(2-Fluoro-1-oxopropyl)-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2-7)-disulfide
  • Octreotide, 2-fluoropropionyl-phe(1)-
  • Octreotide, 2-fluoropropionylphenylalanyl(1)-
  • Sdz 223-228

Systematic Name

  • L-Cysteinamide, N-(2-fluoro-1-oxopropyl)-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (2-7)-disulfide

Registry Numbers

CAS Registry Number

  • 178181-50-5

System Generated Number

  • 0178181505

Structure Descriptors

InChI

1S/C52H69FN10O11S2/c1-29(53)45(67)57-38(22-32-14-6-4-7-15-32)48(70)61-42-27-75-76-28-43(51(73)60-41(26-64)30(2)65)62-52(74)44(31(3)66)63-46(68)37(20-12-13-21-54)56-49(71)40(24-34-25-55-36-19-11-10-18-35(34)36)59-47(69)39(58-50(42)72)23-33-16-8-5-9-17-33/h4-11,14-19,25,29-31,37-44,55,64-66H,12-13,20-24,26-28,54H2,1-3H3,(H,56,71)(H,57,67)(H,58,72)(H,59,69)(H,60,73)(H,61,70)(H,62,74)(H,63,68)/t29?,30?,31?,37-,38-,39+,40+,41?,42+,43+,44+/m1/s1

InChIKey

GSQBFARGQMLSDX-WKNBUZDASA-N

Smiles

c1(ccccc1)C[C@H]1C(=O)N[C@@H](Cc2c3c([nH]c2)cccc3)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@H](O)C)C(N[C@@H](CSSC[C@H](NC([C@H](NC([C@@H](F)C)=O)Cc2ccccc2)=O)C(=O)N1)C(N[C@@H]([C@@H](O)C)CO)=O)=O