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Ovalbumin (257-264)

CAT: 1568-C02265-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:1568-C02265-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138831-86-4
Synonyms
OVA Peptide (257-264), SIINFEKL, Ovalbumin (257-264) chicken
Target
Others
Applications
Others
Molecular Formula
C45H74N10O13
Additionnal Information
Ovalbumin (257-264) is a class I (Kb) -restricted peptide epitope of ovalbumin (OVA) and has been used to trigger T cell activation in immunology studies.
Storage Conditions
3 years -20°C powder

Chemical Information

OVA Peptide(257-264)
CAS Number138831-86-4
PubChem CID447764
IUPAC Name(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC45H74N10O13
Molecular Weight963.1
XLogP-4.8
Topological Polar Surface Area394
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count15
Rotatable Bond Count33
Heavy Atom Count68
Formal Charge0
Complexity1700
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=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/C45H74N10O13/c1-7-25(5)36(55-44(66)37(26(6)8-2)54-38(60)28(47)23-56)43(65)52-32(22-34(48)57)42(64)51-31(21-27-14-10-9-11-15-27)41(63)50-30(17-18-35(58)59)40(62)49-29(16-12-13-19-46)39(61)53-33(45(67)68)20-24(3)4/h9-11,14-15,24-26,28-33,36-37,56H,7-8,12-13,16-23,46-47H2,1-6H3,(H2,48,57)(H,49,62)(H,50,63)(H,51,64)(H,52,65)(H,53,61)(H,54,60)(H,55,66)(H,58,59)(H,67,68)/t25-,26-,28-,29-,30-,31-,32-,33-,36-,37-/m0/s1
InChIKey
JVJGCCBAOOWGEO-RUTPOYCXSA-N
Chemical Structure
2D Structure
2D structure of OVA Peptide(257-264)
CAS: 138831-86-4
CID: 447764
Formula: C45H74N10O13
MW: 963.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight963.1
XLogP3-4.8
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count15
Rotatable Bond Count33
Exact Mass962.54368245
Monoisotopic Mass962.54368245
Topological Polar Surface Area394 Ų
Heavy Atom Count68
Formal Charge0
Complexity1700
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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