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FLAG peptide

CAT: 0127-BUP05635-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05635-05Size:100 mg
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CAS Number
98849-88-8
Purity
=95%
Smiles
NCCCCC(NC(=O)C(CC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(CCCCN)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(O)=O)C(O)=O

Chemical Information

Flag peptide

FLAG peptide is an eight amino acid peptide consisting of L-aspartic acid, L-tyrosine, L-lysine, four L-aspartic acid residues, and L-lysine joined in sequence by peptide linkages. It is widely used as a fusion tag for the purification and detection of a wide variety of recombinant proteins.

CAS Number98849-88-8
PubChem CID9854670
IUPAC Name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid
Molecular FormulaC41H60N10O20
Molecular Weight1013.0
XLogP-12.9
Topological Polar Surface Area526
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count23
Rotatable Bond Count35
Heavy Atom Count71
Formal Charge0
Complexity1910
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(=O)O)N)O
InChI
InChI=1S/C41H60N10O20/c42-11-3-1-5-22(45-36(65)24(13-19-7-9-20(52)10-8-19)47-34(63)21(44)14-29(53)54)35(64)48-26(16-31(57)58)38(67)50-28(18-33(61)62)40(69)51-27(17-32(59)60)39(68)49-25(15-30(55)56)37(66)46-23(41(70)71)6-2-4-12-43/h7-10,21-28,52H,1-6,11-18,42-44H2,(H,45,65)(H,46,66)(H,47,63)(H,48,64)(H,49,68)(H,50,67)(H,51,69)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,70,71)/t21-,22-,23-,24-,25-,26-,27-,28-/m0/s1
InChIKey
XZWYTXMRWQJBGX-VXBMVYAYSA-N
Chemical Structure
2D Structure
2D structure of Flag peptide
CAS: 98849-88-8
CID: 9854670
Formula: C41H60N10O20
MW: 1013.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1013.0
XLogP3-12.9
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count23
Rotatable Bond Count35
Exact Mass1012.39853434
Monoisotopic Mass1012.39853434
Topological Polar Surface Area526 Ų
Heavy Atom Count71
Formal Charge0
Complexity1910
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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