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Substance Name: Ilatreotide [INN]
RN: 119719-11-8
UNII: 398F0EG823
InChIKey: FYSDQQZUTAKKQX-CULBQIHKSA-N

Note

  • An Amadori compound of octreotide.

Molecular Formula

  • C61-H86-N10-O20-S2

Molecular Weight

  • 1343.53
 
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Names and Synonyms

Name of Substance

  • Ilatreotide [INN]
  • Sdz CO 611

Synonyms

  • Ilatreotide
  • N-(1-Deoxy-4-O-alpha-D-glucopyranosyl-D-fructopyranos-1-yl)-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2-7)-disulfide
  • UNII-398F0EG823

Systematic Names

  • L-Cysteinamide, N-(1-deoxy-4-O-alpha-D-glucopyranosyl-D-fructopyranos-1-yl)-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cycli (2-7)-disulfide, (R-(R*,R*))-
  • L-Cysteinamide, N-(1-deoxy-4-O-alpha-D-glucopyranosyl-D-fructopyranos-1-yl)-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (2-7)-disulfide, (R-(R*,R*))-
  • N-(1-Deoxy-4-O-alpha-D-glucopyranosyl-D-fructopyranos-1-yl)-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2->7)-disulfide

Registry Numbers

CAS Registry Number

  • 119719-11-8

FDA UNII

  • 398F0EG823

System Generated Number

  • 0119719118

Structure Descriptors

InChI

1S/C61H86N10O20S2/c1-31(74)42(25-72)68-58(86)44-29-93-92-28-43(69-54(82)39(21-33-13-5-3-6-14-33)64-30-61(88)52(80)51(45(76)27-89-61)91-60-50(79)49(78)48(77)46(26-73)90-60)57(85)66-40(22-34-15-7-4-8-16-34)55(83)67-41(23-35-24-63-37-18-10-9-17-36(35)37)56(84)65-38(19-11-12-20-62)53(81)71-47(32(2)75)59(87)70-44/h3-10,13-18,24,31-32,38-52,60,63-64,72-80,88H,11-12,19-23,25-30,62H2,1-2H3,(H,65,84)(H,66,85)(H,67,83)(H,68,86)(H,69,82)(H,70,87)(H,71,81)/t31-,32-,38+,39-,40+,41-,42-,43+,44+,45-,46-,47+,48-,49+,50-,51-,52+,60-,61-/m1/s1

InChIKey

FYSDQQZUTAKKQX-CULBQIHKSA-N

Smiles

c12c(C[C@H]3NC([C@H](Cc4ccccc4)NC([C@@H](NC([C@@H](Cc4ccccc4)NC[C@@]4([C@H]([C@H](O[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)[C@H](O)CO4)O)O)=O)CSSC[C@H](NC([C@@H](NC([C@@H](NC3=O)CCCCN)=O)[C@@H](C)O)=O)C(N[C@@H]([C@@H](C)O)CO)=O)=O)=O)c[nH]c1cccc2