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Experimental Allergic Encephalitogenic Peptide (human)

CAT: 1410-M39925Size: 1 EachDry Ice: NoHazardous: No
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Description
Experimental allergic encephalitogenic peptide (human) is a EAE peptide. Experimental allergic encephalitogenic peptide (human) induces encephalomyelitis in guinea pigs.
CAS Number
29705-92-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1037.11
Molecular Formula
C46H64N14O14
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Experimental Allergic Encephalitogenic Peptide (human)
CAS Number29705-92-8
PubChem CID14818839
IUPAC Name(4S)-5-[[2-[[(2S)-5-amino-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC46H64N14O14
Molecular Weight1037.1
XLogP-7.2
Topological Polar Surface Area477
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count16
Rotatable Bond Count32
Heavy Atom Count74
Formal Charge0
Complexity2000
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CC=C3)N
InChI
InChI=1S/C46H64N14O14/c1-24(39(67)57-30(14-16-38(65)66)41(69)53-22-37(64)56-31(13-15-35(48)62)43(71)58-32(45(73)74)12-7-17-51-46(49)50)55-36(63)21-54-42(70)33(19-26-20-52-29-11-6-5-10-27(26)29)59-44(72)34(23-61)60-40(68)28(47)18-25-8-3-2-4-9-25/h2-6,8-11,20,24,28,30-34,52,61H,7,12-19,21-23,47H2,1H3,(H2,48,62)(H,53,69)(H,54,70)(H,55,63)(H,56,64)(H,57,67)(H,58,71)(H,59,72)(H,60,68)(H,65,66)(H,73,74)(H4,49,50,51)/t24-,28-,30-,31-,32-,33-,34-/m0/s1
InChIKey
PMYPSYZBJKQBOS-RNQSNQQQSA-N
Chemical Structure
2D Structure
2D structure of Experimental Allergic Encephalitogenic Peptide (human)
CAS: 29705-92-8
CID: 14818839
Formula: C46H64N14O14
MW: 1037.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1037.1
XLogP3-7.2
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count16
Rotatable Bond Count32
Exact Mass1036.47264277
Monoisotopic Mass1036.47264277
Topological Polar Surface Area477 Ų
Heavy Atom Count74
Formal Charge0
Complexity2000
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes