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OVA G4 peptide

CAT: 0931-TP1591-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1591-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
148274-82-2
Bioactivity
G4 peptide (SIIGFEKL) is a variant of the agonist ovalbumin (OVA) peptide (257-264), SIINFEKL. OVA Peptide is a class I (Kb) -restricted peptide epitope of ovalbumin presented by the class I MHC (major histocompatibility complex) molecule, H-2Kb (class I genes of the mouse MHC) .
Smiles
[C@H](CC1=CC=CC=C1)(C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(O)=O)=O)CCCCN)=O)CCC(O)=O)=O)NC(CNC([C@@H](NC([C@@H](NC([C@H](CO)N)=O)[C@H](CC)C)=O)[C@H](CC)C)=O)=O
Molecular Formula
C43H71N9O12
Molecular Weight
906.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

OVA G4 peptide
CAS Number148274-82-2
PubChem CID53389270
IUPAC Name(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC43H71N9O12
Molecular Weight906.1
XLogP-3.7
Topological Polar Surface Area351
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count14
Rotatable Bond Count31
Heavy Atom Count64
Formal Charge0
Complexity1540
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CO)N
InChI
InChI=1S/C43H71N9O12/c1-7-25(5)35(52-42(62)36(26(6)8-2)51-37(57)28(45)23-53)41(61)46-22-33(54)47-31(21-27-14-10-9-11-15-27)40(60)49-30(17-18-34(55)56)39(59)48-29(16-12-13-19-44)38(58)50-32(43(63)64)20-24(3)4/h9-11,14-15,24-26,28-32,35-36,53H,7-8,12-13,16-23,44-45H2,1-6H3,(H,46,61)(H,47,54)(H,48,59)(H,49,60)(H,50,58)(H,51,57)(H,52,62)(H,55,56)(H,63,64)/t25-,26-,28-,29-,30-,31-,32-,35-,36-/m0/s1
InChIKey
OFRBIWSONSKXDO-PZELKCDDSA-N
Chemical Structure
2D Structure
2D structure of OVA G4 peptide
CAS: 148274-82-2
CID: 53389270
Formula: C43H71N9O12
MW: 906.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight906.1
XLogP3-3.7
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count14
Rotatable Bond Count31
Exact Mass905.52221873
Monoisotopic Mass905.52221873
Topological Polar Surface Area351 Ų
Heavy Atom Count64
Formal Charge0
Complexity1540
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes