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(Z)-N-Acetyl-5-nitro-1-tosyldehydrotryptophan Methyl ester
SpectraBase Compound ID 13lBQLK8KpS
InChI InChI=1S/C21H19N3O7S/c1-13-4-7-17(8-5-13)32(29,30)23-12-15(10-19(21(26)31-3)22-14(2)25)18-11-16(24(27)28)6-9-20(18)23/h4-12H,1-3H3,(H,22,25)/b19-10-
InChIKey NHMFFQAZZOIDEI-GRSHGNNSSA-N
Mol Weight 457.46 g/mol
Molecular Formula C21H19N3O7S
Exact Mass 457.094371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJmZdf5YdJN
Name (Z)-N-Acetyl-5-nitro-1-tosyldehydrotryptophan Methyl ester
Alternate Name(s) (Z)-2-acetamido-3-[1-(4-methylphenyl)sulfonyl-5-nitro-3-indolyl]-2-propenoic acid methyl ester methyl (Z)-2-acetamido-3-[1-(4-methylphenyl)sulfonyl-5-nitroindol-3-yl]prop-2-enoate methyl (Z)-2-acetamido-3-[5-nitro-1-(p-tolylsulfonyl)indol-3-yl]prop-2-enoate methyl (Z)-2-acetamido-3-[1-(4-methylphenyl)sulfonyl-5-nitro-indol-3-yl]prop-2-enoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O7S
InChI InChI=1S/C21H19N3O7S/c1-13-4-7-17(8-5-13)32(29,30)23-12-15(10-19(21(26)31-3)22-14(2)25)18-11-16(24(27)28)6-9-20(18)23/h4-12H,1-3H3,(H,22,25)/b19-10-
InChIKey NHMFFQAZZOIDEI-GRSHGNNSSA-N
Molecular Weight 457.457 g/mol
SMILES N(\C(=C/c1c[n](S(c2ccc(cc2)C)(=O)=O)c2c1cc(N(=O)=O)cc2)C(=O)OC)C(=O)C
SPLASH splash10-03di-0090400000-d6c23a61fbe1e618b4c2
Source of Spectrum E1-42-836-9
Wiley ID 1552509