Fluciclatide
2-[(1R,4S,10R,13S,16R,19S,25S)-10-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[2-[2-[2-[2-[2-[2-[2-[2-[[2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,14,17,20,23,26-octazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid
Molecular Identity
Fluciclatide
2-[(1R,4S,10R,13S,16R,19S,25S)-10-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[2-[2-[2-[2-[2-[2-[2-[2-[[2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,14,17,20,23,26-octazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid
PubChem CID: 59707743
2D Structure
Properties
C75H115FN18O27S3
Molecular Formula
1816.00
Molecular Weight
g/mol
1814.7325
Exact Mass
Da
-6.2
XLogP
Drug-like (Lipinski: < 5)
713
TPSA
May have limited oral absorption
17
H-Bond Donors
33
H-Bond Acceptors
3300
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(9)
FluciclatideUQ6CV583Q3AH-111585879894-00-5RefChem:140807UNII-UQ6CV583Q3CHEMBL3990277SCHEMBL14198549Q27896200
Data from PubChem (NCBI)
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