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PAR-4 (1-6) amide (human)

CAT: 0121-4043019.0005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0121-4043019.0005Size:5 mg
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CAS Number
245443-51-0
Specifications
H-6346.0005
Synonyms
Proteinase Activated Receptor 4 (1-6) amide (human) Coagulation Factor II Receptor-Like 3 (1-6) amide (human) Thrombin Receptor-Like 3 (1-6) amide (human) GYPGQVamide GYPGQV-NH2 Selective Protease-Activated Receptor 4 (PAR4) Agonist
Sequence
H-Gly-Tyr-Pro-Gly-Gln-Val-NH₂
Molecular Formula
C₂₈H₄₂N₈O₈
Molecular Weight
618.69
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

PAR-4 (1-6) amide (human)
CAS Number245443-51-0
PubChem CID131851703
IUPAC Name(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]pentanediamide
Molecular FormulaC28H42N8O8
Molecular Weight618.7
XLogP-2.4
Topological Polar Surface Area269
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Heavy Atom Count44
Formal Charge0
Complexity1060
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CN
InChI
InChI=1S/C28H42N8O8/c1-15(2)24(25(31)41)35-26(42)18(9-10-21(30)38)33-23(40)14-32-27(43)20-4-3-11-36(20)28(44)19(34-22(39)13-29)12-16-5-7-17(37)8-6-16/h5-8,15,18-20,24,37H,3-4,9-14,29H2,1-2H3,(H2,30,38)(H2,31,41)(H,32,43)(H,33,40)(H,34,39)(H,35,42)/t18-,19-,20-,24-/m0/s1
InChIKey
NIUWXNGGQOLCDN-XHOYROJHSA-N
Chemical Structure
2D Structure
2D structure of PAR-4 (1-6) amide (human)
CAS: 245443-51-0
CID: 131851703
Formula: C28H42N8O8
MW: 618.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight618.7
XLogP3-2.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Exact Mass618.31256033
Monoisotopic Mass618.31256033
Topological Polar Surface Area269 Ų
Heavy Atom Count44
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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