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CMV pp65 (13-27)

CAT: 0804-HY-P5499-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P5499-01Size:1 mg
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Description
CMV pp65 (13-27) is a biological active peptide. (This peptide is derived from amino acid residues 13 to 27 of the 65k lower matrix phosphoprotein of the human cytomegalovirus. It contains a nine-amino-acid sequence (LGPISGHVL) that matches the consensus binding motif for a major histocompatibility complex H2-Dd T-cell epitope.)
CAS Number
357643-84-6
UNSPSC
12352209
Target
MHC
Type
Peptides
Related Pathways
Immunology/Inflammation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/cmv-pp65-13-27.html
Purity
98.05
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(N[C@@H](C(C)C)C(N[C@@H](CC(C)C)C(NCC(N1[C@@H](CCC1)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CO)C(NCC(N[C@@H](CC2=CNC=N2)C(N[C@@H](C(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@@H](C)C(N[C@@H](C(C)C)C(N[C@@H](CC3=CC=CC=C3)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CO)N
Molecular Formula
C72H118N18O18
Molecular Weight
1523.82
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

CMV pp65(13-27)
CAS Number357643-84-6
PubChem CID168510673
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC72H118N18O18
Molecular Weight1523.8
XLogP-1.2
Topological Polar Surface Area557
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count21
Rotatable Bond Count47
Heavy Atom Count108
Formal Charge0
Complexity3010
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)N
InChI
InChI=1S/C72H118N18O18/c1-14-42(12)59(89-67(102)53-24-20-26-90(53)55(94)33-77-62(97)48(27-37(2)3)82-68(103)57(40(8)9)87-61(96)46(74)34-91)71(106)85-52(35-92)63(98)76-32-54(93)80-50(30-45-31-75-36-78-45)66(101)88-58(41(10)11)69(104)83-49(28-38(4)5)65(100)81-47(23-18-19-25-73)64(99)79-43(13)60(95)86-56(39(6)7)70(105)84-51(72(107)108)29-44-21-16-15-17-22-44/h15-17,21-22,31,36-43,46-53,56-59,91-92H,14,18-20,23-30,32-35,73-74H2,1-13H3,(H,75,78)(H,76,98)(H,77,97)(H,79,99)(H,80,93)(H,81,100)(H,82,103)(H,83,104)(H,84,105)(H,85,106)(H,86,95)(H,87,96)(H,88,101)(H,89,102)(H,107,108)/t42-,43-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-,58-,59-/m0/s1
InChIKey
MRFQMUFLGXDVOA-HARLEMSTSA-N
Chemical Structure
2D Structure
2D structure of CMV pp65(13-27)
CAS: 357643-84-6
CID: 168510673
Formula: C72H118N18O18
MW: 1523.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1523.8
XLogP3-1.2
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count21
Rotatable Bond Count47
Exact Mass1522.88714899
Monoisotopic Mass1522.88714899
Topological Polar Surface Area557 Ų
Heavy Atom Count108
Formal Charge0
Complexity3010
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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