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TRAP-7 trifluoroacetate salt

CAT: 0926-FT108635-01Size: 2000 µgDry Ice: NoHazardous: No
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CAT#:0926-FT108635-01Size:2000 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
145229-76-1
Synonyms
H-Ser-Phe-Leu-Leu-Arg-Asn-Pro-OH; H-SFLLRNP-OH
Smiles
CC (C) C[C@@H] (C (=O) N[C@@H] (CC (C) C) C (=O) N[C@@H] (CCCN=C (N) N) C (=O) N[C@@H] (CC (=O) N) C (=O) N1CCC[C@H]1C (=O) O) NC (=O) [C@H] (CC2=CC=CC=C2) NC (=O) [C@H] (CO) N
Molecular Formula
C39H63N11O10
Molecular Weight
845.99 g/mol
Controlled
No

Chemical Information

thrombin receptor peptide SFLLRNP

a synthetic peptide that induces early events of T cell activation and synergizes with TCR cross-linking for CD69 expression & interleukin-2 production; thrombin receptor agonist; do not confuse with TRAP peptide

CAS Number145229-76-1
PubChem CID132707
IUPAC Name(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC39H63N11O10
Molecular Weight846.0
XLogP-3.8
Topological Polar Surface Area357
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count25
Heavy Atom Count60
Formal Charge0
Complexity1520
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)N
InChI
InChI=1S/C39H63N11O10/c1-21(2)16-26(47-35(56)27(17-22(3)4)48-36(57)28(46-32(53)24(40)20-51)18-23-10-6-5-7-11-23)34(55)45-25(12-8-14-44-39(42)43)33(54)49-29(19-31(41)52)37(58)50-15-9-13-30(50)38(59)60/h5-7,10-11,21-22,24-30,51H,8-9,12-20,40H2,1-4H3,(H2,41,52)(H,45,55)(H,46,53)(H,47,56)(H,48,57)(H,49,54)(H,59,60)(H4,42,43,44)/t24-,25-,26-,27-,28-,29-,30-/m0/s1
InChIKey
FHZSIZRTNHGLSX-FLMSMKGQSA-N
Chemical Structure
2D Structure
2D structure of thrombin receptor peptide SFLLRNP
CAS: 145229-76-1
CID: 132707
Formula: C39H63N11O10
MW: 846.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight846.0
XLogP3-3.8
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count25
Exact Mass845.47593725
Monoisotopic Mass845.47593725
Topological Polar Surface Area357 Ų
Heavy Atom Count60
Formal Charge0
Complexity1520
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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