N-acetyl-N'-nitrosotryptophan methyl ester structure

N-acetyl-N'-nitrosotryptophan methyl ester

methyl (2S)-2-[acetyl(nitroso)amino]-3-(1H-indol-3-yl)propanoate

Also Known As: N-Acetyl-N'-nitrosotryptophan methyl ester|Cid 148648|DL-N-Acetyl-1-nitrosotryptophan methyl ester|DL-N-Acetyl-N'-nitrosotryptophan methyl ester|N-Acetyl-N(1)-nitroso-L-tryptophan-methylester|N|A-Acetyl-1-nitroso-L-tryptophan-methylester|Tryptophan, N-acetyl-1-nitroso-, methyl ester, DL-|methyl 2-[acetyl(nitroso)amino]-3-(1H-indol-3-yl)propanoate|methyl (2S)-2-[acetyl(nitroso)amino]-3-(1H-indol-3-yl)propanoate|METHYL (2S)-3-(1H-INDOL-3-YL)-2-(N-NITROSOACETAMIDO)PROPANOATE

CAS: 53659-33-9
Molecular Formula C14H15N3O4
Molecular Weight 289.10626 g/mol
LogP 1.5
Topological Polar Surface Area 91.8 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 289.10626
Monoisotopic Mass 289.10626
Heavy Atoms 21
Complexity 415.0

Chemical Identifiers

CAS Number 53659-33-9
SMILES CC(=O)N([C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC)N=O
InChIKey AGKSTJOYUCWFJZ-ZDUSSCGKSA-N

Product Overview

N-acetyl-N'-nitrosotryptophan methyl ester (CAS 53659-33-9), with molecular formula C14H15N3O4 and molecular weight 289.10626 g/mol. IUPAC: methyl (2S)-2-[acetyl(nitroso)amino]-3-(1H-indol-3-yl)propanoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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