U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C41H60FN13O13
Molecular Weight 961.9928
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLOTEGATIDE

SMILES

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H]2O[C@@H](CNC(=O)CN3C=C(CCCF)N=N3)[C@H](O)[C@@H](O)[C@H]2O)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O

InChI

InChIKey=SDQRGILXNZSUMD-HCFCWICBSA-N
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

HIDE SMILES / InChI

Molecular Formula C41H60FN13O13
Molecular Weight 961.9928
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

FLOTEGATIDE is a cyclic tripeptide with arginine-glycine-aspartic acid (R-G-D) motif. Its 18F radiolabelled form is a positron emission tomography (PET) tracer targeting integrin alpha-V/beta-3.

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:07:05 UTC 2023
Edited
by admin
on Sat Dec 16 11:07:05 UTC 2023
Record UNII
E19I4T54DP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLOTEGATIDE
Common Name English
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)
Systematic Name English
Code System Code Type Description
PUBCHEM
91864505
Created by admin on Sat Dec 16 11:07:05 UTC 2023 , Edited by admin on Sat Dec 16 11:07:05 UTC 2023
PRIMARY
FDA UNII
E19I4T54DP
Created by admin on Sat Dec 16 11:07:05 UTC 2023 , Edited by admin on Sat Dec 16 11:07:05 UTC 2023
PRIMARY
CAS
1010702-99-4
Created by admin on Sat Dec 16 11:07:05 UTC 2023 , Edited by admin on Sat Dec 16 11:07:05 UTC 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED