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Knob A peptide GPRPFPAC

CAT: 0804-HY-P11209Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-P11209Size:1 Each
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Description
Knob A peptide GPRPFPAC is a fibrin knob peptide. PEGylated Knob A peptide GPRPFPAC has enhanced anticoagulant activity[1].
CAS Number
1261229-38-2
UNSPSC
12352209
Target
Thrombin
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Cardiovascular Disease
Smiles
O=C(N1[C@@H](CCC1)C(N[C@@H](CCCNC(N)=N)C(N2[C@@H](CCC2)C(N[C@@H](CC3=CC=CC=C3)C(N4[C@@H](CCC4)C(N[C@@H](C)C(N[C@@H](CS)C(O)=O)=O)=O)=O)=O)=O)=O)CN
Molecular Formula
C38H57N11O9S
Molecular Weight
843.99
References & Citations
[1]Stabenfeldt SE, et al. A new direction for anticoagulants: inhibiting fibrin assembly with PEGylated fibrin knob mimics. Biotechnol Bioeng. 2011 Oct;108 (10) :2424-33.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

H-Gly-Pro-Arg-Pro-Phe-Pro-Ala-Cys-OH
CAS Number1261229-38-2
PubChem CID178203520
IUPAC Name(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanylpropanoic acid
Molecular FormulaC38H57N11O9S
Molecular Weight844.0
XLogP-3.9
Topological Polar Surface Area306
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Heavy Atom Count59
Formal Charge0
Complexity1570
SMILES
C[C@@H](C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]4CCCN4C(=O)CN
InChI
InChI=1S/C38H57N11O9S/c1-22(31(51)46-26(21-59)37(57)58)43-32(52)28-13-7-18-49(28)36(56)25(19-23-9-3-2-4-10-23)45-34(54)29-14-8-17-48(29)35(55)24(11-5-15-42-38(40)41)44-33(53)27-12-6-16-47(27)30(50)20-39/h2-4,9-10,22,24-29,59H,5-8,11-21,39H2,1H3,(H,43,52)(H,44,53)(H,45,54)(H,46,51)(H,57,58)(H4,40,41,42)/t22-,24-,25-,26-,27-,28-,29-/m0/s1
InChIKey
GFEHYTLJKUQOME-XMKWUEEFSA-N
Chemical Structure
2D Structure
2D structure of H-Gly-Pro-Arg-Pro-Phe-Pro-Ala-Cys-OH
CAS: 1261229-38-2
CID: 178203520
Formula: C38H57N11O9S
MW: 844.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight844.0
XLogP3-3.9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Exact Mass843.40614361
Monoisotopic Mass843.40614361
Topological Polar Surface Area306 Ų
Heavy Atom Count59
Formal Charge0
Complexity1570
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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