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Flavinyltryptophan

CAT: 0013-GTR19223646-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223646-02Size:500 mg
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Description
Flavinyltryptophan is a synthetic flavinylated amino acid derivative. It serves as a biochemical tool for studying flavoprotein mechanisms, electron transfer processes, and redox biology in both in vitro enzymatic assays and cellular research models.
CAS Number
21099-87-6
Smiles
O=C1C=2C (N (C) C=3C (N2) =CC (C) =C (C) C3) =NC (=O) N1CC (N[C@@H] (CC=4C=5C (NC4) =CC=CC5) C (OC) =O) =O
Molecular Formula
C27H26N6O5
Molecular Weight
514.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Flavinyltryptophan
CAS Number21099-87-6
PubChem CID193571
IUPAC Namemethyl (2S)-3-(1H-indol-3-yl)-2-[[2-(7,8,10-trimethyl-2,4-dioxobenzo[g]pteridin-3-yl)acetyl]amino]propanoate
Molecular FormulaC27H26N6O5
Molecular Weight514.5
XLogP2.8
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity1060
SMILES
CC1=CC2=C(C=C1C)N(C3=NC(=O)N(C(=O)C3=N2)CC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)OC)C
InChI
InChI=1S/C27H26N6O5/c1-14-9-19-21(10-15(14)2)32(3)24-23(30-19)25(35)33(27(37)31-24)13-22(34)29-20(26(36)38-4)11-16-12-28-18-8-6-5-7-17(16)18/h5-10,12,20,28H,11,13H2,1-4H3,(H,29,34)/t20-/m0/s1
InChIKey
FLPUCSKZOHMPTF-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Flavinyltryptophan
CAS: 21099-87-6
CID: 193571
Formula: C27H26N6O5
MW: 514.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass514.19646795
Monoisotopic Mass514.19646795
Topological Polar Surface Area137 Ų
Heavy Atom Count38
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T31798-01Flavinyltryptophan

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