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Chemical structure of Cyclo(Arg-Gly-Asp-D-Phe-Val) TFA

GC34141

Cyclo(Arg-Gly-Asp-D-Phe-Val) TFA

Also known as 2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;2,2,2-trifluoroacetic acid

Cyclo(Arg-Gly-Asp-D-Phe-Val) (TFA) is an inhibitor of integrin αvβ3, with antitumor activity

ChemicalCAS199807-33-5MW688.65FormulaC28H39F3N8O9
CAS number
199807-33-5
Molecular weight
688.65
Formula
C28H39F3N8O9
Solubility
Soluble in DMSO
InChIKey
DEDCWVTYYHSZET-JDNDSRKHSA-N
Catalogue number
GC34141
Brand
GLPBIO
Computed properties PubChem CID 131698036 · TPSA 285 Ų · H-bond donors 9 · H-bond acceptors 13
TPSA
285 Ų
H-bond donors
9
H-bond acceptors
13
Rotatable bonds
9
Heavy atoms
48

SMILES CC(C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 131698036), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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