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MAGE-A3 195-203

CAT: 1410-M30201Size: 1 EachDry Ice: NoHazardous: No
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Description
This peptide MAGE-3-encoded HLA-A24 epitope is a high MHC binder.The identification of this MAGE-3/HLA-A24 peptide may as a result effectiveially offer the opportunities to design peptide-based immunotherapeutic approaches that might prove to be potent in treating patients with MAGE-3-positive malignant tumors.
CAS Number
171066-85-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
955.3
Molecular Formula
C45H82N10O10S
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

CID 85144168
CAS Number171066-85-6
PubChem CID85144168
IUPAC Name2-[[2-[[2-[[2-[2-[[6-amino-2-[[1-[2-[(2-amino-3-methylpentanoyl)amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]propanoylamino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid
Molecular FormulaC45H82N10O10S
Molecular Weight955.3
XLogP0.1
Topological Polar Surface Area339
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count13
Rotatable Bond Count31
Heavy Atom Count66
Formal Charge0
Complexity1620
SMILES
CCC(C)C(C(=O)NC(CCSC)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)O)N
InChI
InChI=1S/C45H82N10O10S/c1-11-27(7)36(47)43(62)52-31(18-21-66-10)44(63)55-20-15-17-34(55)42(61)51-30(16-13-14-19-46)39(58)49-29(9)38(57)48-24-35(56)50-32(22-25(3)4)40(59)53-33(23-26(5)6)41(60)54-37(45(64)65)28(8)12-2/h25-34,36-37H,11-24,46-47H2,1-10H3,(H,48,57)(H,49,58)(H,50,56)(H,51,61)(H,52,62)(H,53,59)(H,54,60)(H,64,65)
InChIKey
OEJFMRDFTZRTQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 85144168
CAS: 171066-85-6
CID: 85144168
Formula: C45H82N10O10S
MW: 955.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight955.3
XLogP30.1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count13
Rotatable Bond Count31
Exact Mass954.59361002
Monoisotopic Mass954.59361002
Topological Polar Surface Area339 Ų
Heavy Atom Count66
Formal Charge0
Complexity1620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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