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Azido-PEG3-DYKDDDDK

CAT: 0121-4099640.1000Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0121-4099640.1000Size:1 mg
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CAS Number
2243206-95-1
Specifications
H-7924.1000
Synonyms
Azido-PEG3-FLAG
Sequence
Azido-PEG3-propionyl-Asp-Tyr-Lys-Asp-Asp-Asp-Asp-Lys-OH
Molecular Formula
C₅₀H₇₅N₁₃O₂₄
Molecular Weight
1242.22
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

AZido-PEG3-FLAG Trifluoroacetate
CAS Number2243206-95-1
PubChem CID164512779
IUPAC Name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoylamino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC52H76F3N13O26
Molecular Weight1356.2
Topological Polar Surface Area608
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count33
Rotatable Bond Count48
Heavy Atom Count94
Formal Charge0
Complexity2460
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)NC(=O)CCOCCOCCOCCN=[N+]=[N-])O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C50H75N13O24.C2HF3O2/c51-12-3-1-5-29(56-44(77)31(21-27-7-9-28(64)10-8-27)58-45(78)32(22-38(66)67)55-37(65)11-15-85-17-19-87-20-18-86-16-14-54-63-53)43(76)59-34(24-40(70)71)47(80)61-36(26-42(74)75)49(82)62-35(25-41(72)73)48(81)60-33(23-39(68)69)46(79)57-30(50(83)84)6-2-4-13-52;3-2(4,5)1(6)7/h7-10,29-36,64H,1-6,11-26,51-52H2,(H,55,65)(H,56,77)(H,57,79)(H,58,78)(H,59,76)(H,60,81)(H,61,80)(H,62,82)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,83,84);(H,6,7)/t29-,30-,31-,32-,33-,34-,35-,36-;/m0./s1
InChIKey
GRTAQVXEALHODI-JAMBOELSSA-N
Chemical Structure
2D Structure
2D structure of AZido-PEG3-FLAG Trifluoroacetate
CAS: 2243206-95-1
CID: 164512779
Formula: C52H76F3N13O26
MW: 1356.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1356.2
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count33
Rotatable Bond Count48
Exact Mass1355.49765407
Monoisotopic Mass1355.49765407
Topological Polar Surface Area608 Ų
Heavy Atom Count94
Formal Charge0
Complexity2460
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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