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RPFYSNAPQEIFIQQGR

CAT: 0804-HY-P11563Size: 1 EachDry Ice: NoHazardous: No
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Description
RPFYSNAPQEIFIQQGR is a peptide from peanut proteins. RPFYSNAPQEIFIQQGR can be used as a marker peptide for the detection of peanut allergens using UHPLC-MS/MS[1].
CAS Number
2007127-16-2
UNSPSC
12352209
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
O=C(N1[C@@H](CCC1)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H](CC3=CC=C(C=C3)O)C(N[C@@H](CO)C(N[C@@H](CC(N)=O)C(N[C@@H](C)C(N4[C@@H](CCC4)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC5=CC=CC=C5)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CCCNC(N)=N)N
Molecular Formula
C93H139N27O26
Molecular Weight
2051.26
References & Citations
[1]Planque M, et al. Advances in ultra-high performance liquid chromatography coupled to tandem mass spectrometry for sensitive detection of several food allergens in complex and processed foodstuffs. J Chromatogr A. 2016 Sep 16;1464:115-23.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

H-Arg-Pro-Phe-Tyr-Ser-Asn-Ala-Pro-Gln-Glu-Ile-Phe-Ile-Gln-Gln-Gly-Arg-OH
CAS Number2007127-16-2
PubChem CID178421420
IUPAC Name(4S)-4-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[2-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC93H139N27O26
Molecular Weight2051.3
XLogP-8
Topological Polar Surface Area885
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count29
Rotatable Bond Count66
Heavy Atom Count146
Formal Charge0
Complexity4510
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)N
InChI
InChI=1S/C93H139N27O26/c1-6-48(3)74(87(141)111-58(32-36-70(97)125)78(132)108-56(30-34-68(95)123)76(130)105-46-72(127)107-60(91(145)146)23-15-39-104-93(101)102)118-83(137)63(43-52-20-12-9-13-21-52)115-88(142)75(49(4)7-2)117-79(133)59(33-37-73(128)129)109-77(131)57(31-35-69(96)124)110-85(139)66-24-16-40-119(66)89(143)50(5)106-80(134)64(45-71(98)126)113-84(138)65(47-121)116-82(136)61(44-53-26-28-54(122)29-27-53)112-81(135)62(42-51-18-10-8-11-19-51)114-86(140)67-25-17-41-120(67)90(144)55(94)22-14-38-103-92(99)100/h8-13,18-21,26-29,48-50,55-67,74-75,121-122H,6-7,14-17,22-25,30-47,94H2,1-5H3,(H2,95,123)(H2,96,124)(H2,97,125)(H2,98,126)(H,105,130)(H,106,134)(H,107,127)(H,108,132)(H,109,131)(H,110,139)(H,111,141)(H,112,135)(H,113,138)(H,114,140)(H,115,142)(H,116,136)(H,117,133)(H,118,137)(H,128,129)(H,145,146)(H4,99,100,103)(H4,101,102,104)/t48-,49-,50-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,74-,75-/m0/s1
InChIKey
JLZPBIQZQNAAPQ-QCZYTSBMSA-N
Chemical Structure
2D Structure
2D structure of H-Arg-Pro-Phe-Tyr-Ser-Asn-Ala-Pro-Gln-Glu-Ile-Phe-Ile-Gln-Gln-Gly-Arg-OH
CAS: 2007127-16-2
CID: 178421420
Formula: C93H139N27O26
MW: 2051.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2051.3
XLogP3-8
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count29
Rotatable Bond Count66
Exact Mass2050.0384576
Monoisotopic Mass2050.0384576
Topological Polar Surface Area885 Ų
Heavy Atom Count146
Formal Charge0
Complexity4510
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19150421-01RPFYSNAPQEIFIQQGR
PP42536-01H-RPFYSNAPQEIFIQQGR-OH

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