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WKYMVM TFA

CAT: 0931-TP1476-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1476-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1313730-09-4
Target
Others, PERK, Apoptosis
Related Pathways
Apoptosis, Others
Bioactivity
WKYMVm is a selective FPR2 agonist with high affinity, which was identified through screening of a synthetic peptide library.
Smiles
C(C(O)=O)(F)(F)F.C([C@@H](C(N[C@H](C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@H](C(N[C@H](C(N[C@H](CCSC)C(N)=O)=O)[C@@H](C)C)=O)CCSC)=O)=O)CCCCN)=O)N)C=2C=3C(NC2)=CC=CC3
Molecular Formula
C43H62F3N9O9S2
Molecular Weight
970.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Wkymvm (tfa)
CAS Number1313730-09-4
PubChem CID71312039
IUPAC Name(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide;2,2,2-trifluoroacetic acid
Molecular FormulaC43H62F3N9O9S2
Molecular Weight970.1
Topological Polar Surface Area365
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count26
Heavy Atom Count66
Formal Charge0
Complexity1440
SMILES
CC(C)[C@@H](C(=O)N[C@H](CCSC)C(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C41H61N9O7S2.C2HF3O2/c1-24(2)35(41(57)46-31(36(44)52)16-19-58-3)50-39(55)33(17-20-59-4)48-40(56)34(21-25-12-14-27(51)15-13-25)49-38(54)32(11-7-8-18-42)47-37(53)29(43)22-26-23-45-30-10-6-5-9-28(26)30;3-2(4,5)1(6)7/h5-6,9-10,12-15,23-24,29,31-35,45,51H,7-8,11,16-22,42-43H2,1-4H3,(H2,44,52)(H,46,57)(H,47,53)(H,48,56)(H,49,54)(H,50,55);(H,6,7)/t29-,31+,32-,33-,34-,35-;/m0./s1
InChIKey
MYVYQWVNXDVTBW-HQORXVKSSA-N
Chemical Structure
2D Structure
2D structure of Wkymvm (tfa)
CAS: 1313730-09-4
CID: 71312039
Formula: C43H62F3N9O9S2
MW: 970.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight970.1
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count26
Exact Mass969.40640142
Monoisotopic Mass969.40640142
Topological Polar Surface Area365 Ų
Heavy Atom Count66
Formal Charge0
Complexity1440
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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