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N-Acetyl-DL-tryptophan

CAT: 1410-M19666-01Size: 1 EachDry Ice: NoHazardous: No
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Description
N-Acetyl-tryptophan was study for its possible anti-​inflammatory and antinociceptive activities from the extraction of a Turkish plant Salsola grandis.
CAS Number
87-32-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
246.26
Molecular Formula
C13H14N2O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

N-Acetyltryptophan

N-acetyltryptophan is an N-acetylamino acid that is the N-acetyl derivative of tryptophan. It has a role as a metabolite. It is a N-acetyl-amino acid and a tryptophan derivative. It is a conjugate acid of a N-acetyltryptophanate.

CAS Number87-32-1
PubChem CID2002
IUPAC Name2-acetamido-3-(1H-indol-3-yl)propanoic acid
Molecular FormulaC13H14N2O3
Molecular Weight246.26
XLogP1.1
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity332
SMILES
CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)
InChIKey
DZTHIGRZJZPRDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyltryptophan
CAS: 87-32-1
CID: 2002
Formula: C13H14N2O3
MW: 246.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.26
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass246.10044231
Monoisotopic Mass246.10044231
Topological Polar Surface Area82.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity332
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS3609654-01N-Acetyl-DL-tryptophan
002400-01N-Acetyl-DL-Tryptophan for Biochemistry
TRC-A145330-100MGN-Acetyl-5-methyl-dl-tryptophan
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FA52346-01N-α-Acetyl-5-benzyloxy-DL-tryptophan
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