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Chemical structure of TFLLR-NH2(TFA)

GC37770

TFLLR-NH2(TFA)

Also known as (2S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide;2,2,2-trifluoroacetic acid

TFLLR-NH2 (TFA) is a selective PAR1 agonist with an EC50 of 1·9 μM

ChemicalCAS1313730-19-6MW761.83FormulaC33H54F3N9O8
CAS number
1313730-19-6
Molecular weight
761.83
Formula
C33H54F3N9O8
Solubility
Water： 100 mg/mL (131·26 mM); DMSO： 100 mg/mL (131·26 mM)
InChIKey
QVNWOGSDGQDGHP-MKVNCOEFSA-N
Catalogue number
GC37770
Brand
GLPBIO
Computed properties PubChem CID 71311619 · TPSA 307 Ų · H-bond donors 10 · H-bond acceptors 13
TPSA
307 Ų
H-bond donors
10
H-bond acceptors
13
Rotatable bonds
20
Heavy atoms
53

SMILES C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N)O.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 71311619), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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