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CEF6

CAT: 0931-TP1822-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1822-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
913545-15-0
Target
Influenza Virus
Related Pathways
Microbiology/Virology
Bioactivity
CEF6, a HLA-B7 restricted influenza virus nucleoprotein epitope, belongs to the CEF control peptides. The CEF control peptides are 8-12 amino acids in length, with sequences derived from the human cytomegalovirus, Epstein-Barr virus and influenza virus.
Smiles
C(N[C@@H](CC1=CC=CC=C1)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCSC)C(O)=O)=O)C(C)C)=O)[C@@H](C)O)=O)[C@@H](C)O)=O)CCCCN)=O)CC(O)=O)=O)(=O)[C@H]2N(C([C@H](CC(C)C)N)=O)CCC2
Molecular Formula
C48H78N10O14S1
Molecular Weight
1051.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 146160158
CAS Number913545-15-0
PubChem CID146160158
IUPAC Name4-[[6-amino-1-[[1-[[1-[[1-[(1-carboxy-3-methylsulfanylpropyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid
Molecular FormulaC52H80N10O14S
Molecular Weight1101.3
XLogP-3.5
Topological Polar Surface Area425
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count17
Rotatable Bond Count35
Heavy Atom Count77
Formal Charge0
Complexity1940
SMILES
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(CCSC)C(=O)O)N
InChI
InChI=1S/C52H80N10O14S/c1-28(2)24-34(54)44(67)57-37(25-32-16-10-8-11-17-32)46(69)58-38(26-33-18-12-9-13-19-33)47(70)59-39(27-40(65)66)48(71)55-35(20-14-15-22-53)45(68)61-42(30(5)63)51(74)62-43(31(6)64)50(73)60-41(29(3)4)49(72)56-36(52(75)76)21-23-77-7/h8-13,16-19,28-31,34-39,41-43,63-64H,14-15,20-27,53-54H2,1-7H3,(H,55,71)(H,56,72)(H,57,67)(H,58,69)(H,59,70)(H,60,73)(H,61,68)(H,62,74)(H,65,66)(H,75,76)
InChIKey
QEMGQMYADQMCIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 146160158
CAS: 913545-15-0
CID: 146160158
Formula: C52H80N10O14S
MW: 1101.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1101.3
XLogP3-3.5
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count17
Rotatable Bond Count35
Exact Mass1100.55761844
Monoisotopic Mass1100.55761844
Topological Polar Surface Area425 Ų
Heavy Atom Count77
Formal Charge0
Complexity1940
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-P0313CEF6
abx266600-01CEF6 Peptide
BUP01413-01CEF6 acetate (913545-15-0 free base)
SP-55329-1CEF6 [H-Leu-Pro-Phe-Asp-Lys-Thr-Thr-Val-Met-OH; MW: 1051.28]

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