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Substance Name: Recanaclotide [USAN]
RN: 1667762-62-0
UNII: 9QBH807006
InChIKey: GIUNZSCFWBGNLR-ATLORWJNSA-N

Classification Code

  • Treatment of Gastroparesis, Functional Dyspepsia and Other Gastrointestinal Disorders

Molecular Formula

  • C45-H71-N14-O20-P-S6

Molecular Weight

  • 1351.5039
 
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Names and Synonyms

Name of Substance

  • Recanaclotide [USAN]

Synonyms

  • IW-9179
  • L-cysteinyl-L-cysteinyl-O-phosphono-L-seryl-L-leucyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteine (1-6:2-10:5-13)-tris(disulfide)
  • Recanaclotide
  • UNII-9QBH807006

Systematic Name

  • L-Cysteine, L-cysteinyl-L-cysteinyl-O-phosphono-L-seryl-L-leucyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-, cyclic (1?->6),(2?->10),(5?->13)-tris(disulfide)

Registry Numbers

CAS Registry Number

  • 1667762-62-0

FDA UNII

  • 9QBH807006

System Generated Number

  • 1667762620

Structure Descriptors

InChI

1S/C45H71N14O20PS6/c1-18(2)8-22-36(65)56-27-15-85-86-17-29(45(74)75)50-32(62)10-48-43(72)33(20(4)60)58-41(70)28-16-84-83-13-25(39(68)53-24(37(66)51-22)11-79-80(76,77)78)55-35(64)21(46)12-81-82-14-26(57-40(27)69)38(67)52-23(9-31(47)61)44(73)59-7-5-6-30(59)42(71)49-19(3)34(63)54-28/h18-30,33,60H,5-17,46H2,1-4H3,(H2,47,61)(H,48,72)(H,49,71)(H,50,62)(H,51,66)(H,52,67)(H,53,68)(H,54,63)(H,55,64)(H,56,65)(H,57,69)(H,58,70)(H,74,75)(H2,76,77,78)/t19-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,33-/m0/s1

InChIKey

GIUNZSCFWBGNLR-ATLORWJNSA-N

Smiles

CC(C)C[C@@H]1NC(=O)[C@H](COP(=O)(O)O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CSSC[C@H](N)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC3=O)[C@@H](C)O)C(=O)O)NC1=O