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FLAG-Cys

CAT: 0931-T82394-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82394-01Size:5 mg
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CAS Number
844869-12-1
Bioactivity
FLAG-Cys is a Flag peptide modified with an additional cysteine (Cys) residue, recognized for its immunogenicity [1].
Smiles
[C@H](CC1=CC=C(O)C=C1)(C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CS)=O)CCCCN)=O)CC(O)=O)=O)CC(O)=O)=O)CC(O)=O)=O)CC(O)=O)=O)CCCCN)=O)NC([C@H](CC(O)=O)N)=O
Molecular Formula
C44H65N11O21S
Molecular Weight
1116.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

FLAG-Cys
CAS Number844869-12-1
PubChem CID168432168
IUPAC Name(3S)-3-amino-4-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC44H65N11O21S
Molecular Weight1116.1
XLogP-13.2
Topological Polar Surface Area556
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count25
Rotatable Bond Count38
Heavy Atom Count77
Formal Charge0
Complexity2110
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)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC(=O)O)N)O
InChI
InChI=1S/C44H65N11O21S/c45-11-3-1-5-23(48-39(70)25(13-20-7-9-21(56)10-8-20)50-36(67)22(47)14-31(57)58)37(68)51-27(16-33(61)62)41(72)53-29(18-35(65)66)43(74)54-28(17-34(63)64)42(73)52-26(15-32(59)60)40(71)49-24(6-2-4-12-46)38(69)55-30(19-77)44(75)76/h7-10,22-30,56,77H,1-6,11-19,45-47H2,(H,48,70)(H,49,71)(H,50,67)(H,51,68)(H,52,73)(H,53,72)(H,54,74)(H,55,69)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,75,76)/t22-,23-,24-,25-,26-,27-,28-,29-,30-/m0/s1
InChIKey
ICCXXHMWPXPQHN-WQXPEFPKSA-N
Chemical Structure
2D Structure
2D structure of FLAG-Cys
CAS: 844869-12-1
CID: 168432168
Formula: C44H65N11O21S
MW: 1116.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1116.1
XLogP3-13.2
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count25
Rotatable Bond Count38
Exact Mass1115.40771930
Monoisotopic Mass1115.40771930
Topological Polar Surface Area556 Ų
Heavy Atom Count77
Formal Charge0
Complexity2110
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19034697-01FLAG-Cys
GTR19150405-01Cys-flag peptide
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H-7775.0025H-Lys-Cys-Thr-Cys-Cys-Ala-OH
S9174-01Recombinant Streptavidin-Cys, rSA-Cys
abx266278-01GLP1 -Cys, GLP1 -Cys Peptide
FL110258-01H-Lys-Cys-Thr-Cys-Cys-Ala-OH trifluoroacetate salt
RM-F131570-01Fmoc-Cys (Trt) -Cys (Trt) -Oh
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