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Myelin Basic Protein (68-82), guinea pig

CAT: 0607-A1031-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-A1031-5Size:5 mg
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Description
Myelin Basic Protein
CAS Number
98474-59-0
Sequence
H2N-Tyr-Gly-Ser-Leu-Pro-Gln-Lys-Ser-Gln-Arg-Ser-Gln-Asp-Glu-Asn-OH
Field of Research
Neuroscience Alzheimer Neuroscience Neuroscience Peptides
Purity
0.9906
Form
A solid
Solubility
insoluble in EtOH; ≥173.6 mg/mL in DMSO; ≥54.6 mg/mL in H2O
Molecular Formula
C71H113N23O28
Molecular Weight
1736.81
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Myelin Basic Protein (MBP) (68-82), guinea pig
CAS Number98474-59-0
PubChem CID71464368
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-5-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-5-oxopentanoic acid
Molecular FormulaC71H113N23O28
Molecular Weight1736.8
XLogP-17
Topological Polar Surface Area878
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count31
Rotatable Bond Count60
Heavy Atom Count122
Formal Charge0
Complexity3680
SMILES
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N
InChI
InChI=1S/C71H113N23O28/c1-33(2)25-44(90-65(116)46(30-95)82-54(103)29-81-57(108)36(73)26-34-10-12-35(98)13-11-34)69(120)94-24-6-9-49(94)68(119)88-41(16-20-52(76)101)61(112)83-37(7-3-4-22-72)58(109)92-47(31-96)66(117)86-39(14-18-50(74)99)60(111)84-38(8-5-23-80-71(78)79)59(110)93-48(32-97)67(118)87-40(15-19-51(75)100)62(113)89-43(28-56(106)107)64(115)85-42(17-21-55(104)105)63(114)91-45(70(121)122)27-53(77)102/h10-13,33,36-49,95-98H,3-9,14-32,72-73H2,1-2H3,(H2,74,99)(H2,75,100)(H2,76,101)(H2,77,102)(H,81,108)(H,82,103)(H,83,112)(H,84,111)(H,85,115)(H,86,117)(H,87,118)(H,88,119)(H,89,113)(H,90,116)(H,91,114)(H,92,109)(H,93,110)(H,104,105)(H,106,107)(H,121,122)(H4,78,79,80)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChIKey
ROVJYNCPHLNVSO-OXKPGLRSSA-N
Chemical Structure
2D Structure
2D structure of Myelin Basic Protein (MBP) (68-82), guinea pig
CAS: 98474-59-0
CID: 71464368
Formula: C71H113N23O28
MW: 1736.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1736.8
XLogP3-17
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count31
Rotatable Bond Count60
Exact Mass1735.8125400
Monoisotopic Mass1735.8125400
Topological Polar Surface Area878 Ų
Heavy Atom Count122
Formal Charge0
Complexity3680
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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