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YFLLRNP

CAT: 0931-T80235-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T80235-02Size:50 mg
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CAS Number
149440-16-4
Target
Protease-activated Receptor
Related Pathways
GPCR/G Protein
Bioactivity
YFLLRNP is a biologically active peptide functioning as a partial agonist of PAR-1, selectively activating the G12/13 signaling pathway. At low concentrations, YFLLRNP (60 μM) does not activate Gq or Gi pathways.
Smiles
C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@H](CC2=CC=C(O)C=C2)N)=O)=O)CC(C)C)=O)CC(C)C)=O)CCCNC(=N)N)=O)CC(N)=O)(=O)N3[C@H](C(O)=O)CCC3
Molecular Formula
C45H67N11O10
Molecular Weight
922.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CAS Number149440-16-4
PubChem CID24868225
IUPAC Name(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC45H67N11O10
Molecular Weight922.1
XLogP-1.5
Topological Polar Surface Area357
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Heavy Atom Count66
Formal Charge0
Complexity1680
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](CC3=CC=C(C=C3)O)N
InChI
InChI=1S/C45H67N11O10/c1-25(2)20-32(40(61)51-31(12-8-18-50-45(48)49)39(60)55-35(24-37(47)58)43(64)56-19-9-13-36(56)44(65)66)53-41(62)33(21-26(3)4)54-42(63)34(23-27-10-6-5-7-11-27)52-38(59)30(46)22-28-14-16-29(57)17-15-28/h5-7,10-11,14-17,25-26,30-36,57H,8-9,12-13,18-24,46H2,1-4H3,(H2,47,58)(H,51,61)(H,52,59)(H,53,62)(H,54,63)(H,55,60)(H,65,66)(H4,48,49,50)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
InChIKey
NNUNPUFRTIMQBH-QJCLFNHPSA-N
Chemical Structure
2D Structure
2D structure of (2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CAS: 149440-16-4
CID: 24868225
Formula: C45H67N11O10
MW: 922.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight922.1
XLogP3-1.5
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Exact Mass921.50723738
Monoisotopic Mass921.50723738
Topological Polar Surface Area357 Ų
Heavy Atom Count66
Formal Charge0
Complexity1680
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

Alternative Products

CatalogName
MBS5821894YFLLRNP
MBS633887-01Thrombin Receptor Derived Peptide [Tyr-Phe-Leu-Leu-Arg-Asn-Pro (YFLLRNP)]
T5045-02LThrombin Receptor Derived Peptide [Tyr-Phe-Leu-Leu-Arg-Asn-Pro (YFLLRNP) ]

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