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Substance Name: Flotegatide
RN: 1010702-99-4
UNII: E19I4T54DP
InChIKey: SDQRGILXNZSUMD-HCFCWICBSA-N

Molecular Formula

  • C41-H60-F-N13-O13

Molecular Weight

  • 962.001
 
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Names and Synonyms

Name of Substance

  • Flotegatide

Synonyms

  • Cyclo(L-arginylglycyl-L-alpha-aspartyl-D-phenylalanyl-N6-(2,6-anhydro-7-deoxy-7-((2-(4-(3-fluoropropyl)-1H-1,2,3-triazol-1-yl)acetyl)amino)-L-glycero-L-galacto-heptonoyl)-L-lysyl)
  • Flotegatide
  • UNII-E19I4T54DP

Registry Numbers

CAS Registry Number

  • 1010702-99-4

FDA UNII

  • E19I4T54DP

System Generated Number

  • 1010702994

Structure Descriptors

InChI

1S/C41H60FN13O13/c42-13-6-10-23-20-55(54-53-23)21-30(57)47-18-28-32(60)33(61)34(62)35(68-28)40(67)45-14-5-4-11-25-37(64)50-24(12-7-15-46-41(43)44)36(63)48-19-29(56)49-27(17-31(58)59)39(66)52-26(38(65)51-25)16-22-8-2-1-3-9-22/h1-3,8-9,20,24-28,32-35,60-62H,4-7,10-19,21H2,(H,45,67)(H,47,57)(H,48,63)(H,49,56)(H,50,64)(H,51,65)(H,52,66)(H,58,59)(H4,43,44,46)/t24-,25-,26+,27-,28-,32-,33+,34+,35-/m0/s1

InChIKey

SDQRGILXNZSUMD-HCFCWICBSA-N

Smiles

c1ccc(cc1)C[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2)CC(=O)O)CCCNC(=N)N)CCCCNC(=O)[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)CNC(=O)Cn4cc(nn4)CCCF)O)O)O