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Tetanus toxin 830-843

CAT: 1410-M30287Size: 1 EachDry Ice: NoHazardous: No
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Description
Tetanus toxin (830-843) from tetanus toxoid is a universal human tetanus toxin T cell epitope. It induces T-cell activation and is used as a helper peptide in vaccinations.
CAS Number
119260-99-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1611.84
Molecular Formula
C74H118N18O22
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Tetanus toxin 830-843
CAS Number119260-99-0
PubChem CID171666652
IUPAC Name(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid
Molecular FormulaC74H118N18O22
Molecular Weight1611.8
XLogP-7.5
Topological Polar Surface Area678
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count25
Rotatable Bond Count55
Heavy Atom Count114
Formal Charge0
Complexity3190
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCC(=O)N)N
InChI
InChI=1S/C74H118N18O22/c1-9-38(4)58(70(109)80-36-56(98)89-59(39(5)10-2)72(111)92-61(42(8)94)73(112)84-49(74(113)114)28-30-57(99)100)90-68(107)51(33-43-19-13-12-14-20-43)87-65(104)48(22-16-18-32-76)82-69(108)53(37-93)88-66(105)52(35-55(79)97)85-62(101)41(7)81-64(103)47(21-15-17-31-75)83-71(110)60(40(6)11-3)91-67(106)50(34-44-23-25-45(95)26-24-44)86-63(102)46(77)27-29-54(78)96/h12-14,19-20,23-26,38-42,46-53,58-61,93-95H,9-11,15-18,21-22,27-37,75-77H2,1-8H3,(H2,78,96)(H2,79,97)(H,80,109)(H,81,103)(H,82,108)(H,83,110)(H,84,112)(H,85,101)(H,86,102)(H,87,104)(H,88,105)(H,89,98)(H,90,107)(H,91,106)(H,92,111)(H,99,100)(H,113,114)/t38-,39-,40-,41-,42+,46-,47-,48-,49-,50-,51-,52-,53-,58-,59-,60-,61-/m0/s1
InChIKey
SFVMDWINBRJWGJ-IBEQIYGISA-N
Chemical Structure
2D Structure
2D structure of Tetanus toxin 830-843
CAS: 119260-99-0
CID: 171666652
Formula: C74H118N18O22
MW: 1611.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1611.8
XLogP3-7.5
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count25
Rotatable Bond Count55
Exact Mass1610.86680746
Monoisotopic Mass1610.86680746
Topological Polar Surface Area678 Ų
Heavy Atom Count114
Formal Charge0
Complexity3190
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-P1754Tetanus toxin (830-843)
MBS5789304Tetanus toxin 830-843 acetate
GTR19144789-01Tetanus toxin (830-843) TFA
HY-P1754A-01Tetanus toxin (830-843) (TFA)
HY-P5425Tetanus Toxin (830–844)
MBS5822665Tetanus Toxin (830-844)
HY-P5425A-01Tetanus Toxin (830–844) (TFA)
GTR19113251-01Tetanus Toxin (830–844) TFA
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