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SMCY peptide

CAT: 0804-HY-P10339Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-P10339Size:1 Each
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Description
SMCY peptide inhibits the binding of iodinated standard peptide to HLA-B7 with an IC50 of 34 nM. As an epitope of the H-Y antigen, SMCY peptide can be presented by the HLA-B7 molecule and recognized by specific T cells, leading to transplant rejection[1].
CAS Number
169312-12-3
UNSPSC
12352209
Target
Others
Type
Peptides
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/smcy-peptide.html
Solubility
10 mM in DMSO
Smiles
O=C(N1[C@@H](CCC1)C(N[C@@H](CO)C(N[C@@H](C(C)C)C(N[C@@H](CC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CO)N
Molecular Formula
C49H85N15O18
Molecular Weight
1172.29
References & Citations
[1]Wang W, et al. Human H-Y: a male-specific histocompatibility antigen derived from the SMCY protein. Science. 1995 Sep 15;269 (5230) :1588-90.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

SMCY peptide
CAS Number169312-12-3
PubChem CID171714266
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC49H85N15O18
Molecular Weight1172.3
XLogP-10.1
Topological Polar Surface Area551
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count21
Rotatable Bond Count38
Heavy Atom Count82
Formal Charge0
Complexity2270
SMILES
C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)N
InChI
InChI=1S/C49H85N15O18/c1-23(2)19-32(48(81)82)61-42(75)30(14-15-35(67)68)58-39(72)26(6)56-41(74)29(12-9-17-54-49(52)53)57-38(71)25(5)55-40(73)28(11-7-8-16-50)59-43(76)31(20-36(69)70)60-46(79)37(24(3)4)63-44(77)33(22-66)62-45(78)34-13-10-18-64(34)47(80)27(51)21-65/h23-34,37,65-66H,7-22,50-51H2,1-6H3,(H,55,73)(H,56,74)(H,57,71)(H,58,72)(H,59,76)(H,60,79)(H,61,75)(H,62,78)(H,63,77)(H,67,68)(H,69,70)(H,81,82)(H4,52,53,54)/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,37-/m0/s1
InChIKey
WWFNAEORZKAYGB-KXVOANHXSA-N
Chemical Structure
2D Structure
2D structure of SMCY peptide
CAS: 169312-12-3
CID: 171714266
Formula: C49H85N15O18
MW: 1172.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1172.3
XLogP3-10.1
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count21
Rotatable Bond Count38
Exact Mass1171.61970092
Monoisotopic Mass1171.61970092
Topological Polar Surface Area551 Ų
Heavy Atom Count82
Formal Charge0
Complexity2270
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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