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ISTLNSLTLPALR

CAT: 0804-HY-P11566Size: 1 EachDry Ice: NoHazardous: No
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Description
ISTLNSLTLPALR is a soybean peptide from soybean proteins. ISTLNSLTLPALR can be used as a marker peptide for the detection of soybean allergens using UHPLC-MS/MS[1].
CAS Number
1072779-30-6
UNSPSC
12352209
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
O=C(N[C@@H](CO)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(C)C)C(N[C@@H](CC(N)=O)C(N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(C)C)C(N1[C@@H](CCC1)C(N[C@@H](C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H]([C@@H](C)CC)N
Molecular Formula
C62H111N17O19
Molecular Weight
1398.65
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-Ile-Ser-Thr-Leu-Asn-Ser-Leu-Thr-Leu-Pro-Ala-Leu-Arg-OH
CAS Number1072779-30-6
PubChem CID178421407
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC62H111N17O19
Molecular Weight1398.6
XLogP-5.2
Topological Polar Surface Area592
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count21
Rotatable Bond Count44
Heavy Atom Count98
Formal Charge0
Complexity2750
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N
InChI
InChI=1S/C62H111N17O19/c1-14-32(10)46(64)57(93)76-43(27-81)55(91)78-47(34(12)82)58(94)73-38(22-29(4)5)51(87)72-40(25-45(63)84)52(88)75-42(26-80)54(90)71-39(23-30(6)7)53(89)77-48(35(13)83)59(95)74-41(24-31(8)9)60(96)79-20-16-18-44(79)56(92)68-33(11)49(85)70-37(21-28(2)3)50(86)69-36(61(97)98)17-15-19-67-62(65)66/h28-44,46-48,80-83H,14-27,64H2,1-13H3,(H2,63,84)(H,68,92)(H,69,86)(H,70,85)(H,71,90)(H,72,87)(H,73,94)(H,74,95)(H,75,88)(H,76,93)(H,77,89)(H,78,91)(H,97,98)(H4,65,66,67)/t32-,33-,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,46-,47-,48-/m0/s1
InChIKey
QUZXIVQPLDGEOU-KRVMKQLMSA-N
Chemical Structure
2D Structure
2D structure of H-Ile-Ser-Thr-Leu-Asn-Ser-Leu-Thr-Leu-Pro-Ala-Leu-Arg-OH
CAS: 1072779-30-6
CID: 178421407
Formula: C62H111N17O19
MW: 1398.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1398.6
XLogP3-5.2
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count21
Rotatable Bond Count44
Exact Mass1397.82421438
Monoisotopic Mass1397.82421438
Topological Polar Surface Area592 Ų
Heavy Atom Count98
Formal Charge0
Complexity2750
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19150377-01ISTLNSLTLPALR
PP41842-01H-ISTLNSLTLPALR-OH

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