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(Z)-N-Acetyl-5-methoxy-1-tosyldehydrotryptophan Methyl ester
SpectraBase Compound ID 7O4r7b5hbbU
InChI InChI=1S/C22H22N2O6S/c1-14-5-8-18(9-6-14)31(27,28)24-13-16(11-20(22(26)30-4)23-15(2)25)19-12-17(29-3)7-10-21(19)24/h5-13H,1-4H3,(H,23,25)/b20-11-
InChIKey HNRXFDFDQJZJKC-JAIQZWGSSA-N
Mol Weight 442.49 g/mol
Molecular Formula C22H22N2O6S
Exact Mass 442.119858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27quDbnDUPT
Name (Z)-N-Acetyl-5-methoxy-1-tosyldehydrotryptophan Methyl ester
Alternate Name(s) (Z)-2-acetamido-3-[5-methoxy-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-propenoic acid methyl ester methyl (Z)-2-acetamido-3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoate methyl (Z)-2-acetamido-3-[5-methoxy-1-(p-tolylsulfonyl)indol-3-yl]prop-2-enoate methyl (Z)-2-acetamido-3-[5-methoxy-1-(4-methylphenyl)sulfonyl-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 C22H22N2O6S
InChI InChI=1S/C22H22N2O6S/c1-14-5-8-18(9-6-14)31(27,28)24-13-16(11-20(22(26)30-4)23-15(2)25)19-12-17(29-3)7-10-21(19)24/h5-13H,1-4H3,(H,23,25)/b20-11-
InChIKey HNRXFDFDQJZJKC-JAIQZWGSSA-N
Molecular Weight 442.486 g/mol
SMILES N(\C(=C/c1c[n](S(c2ccc(cc2)C)(=O)=O)c2c1cc(cc2)OC)C(=O)OC)C(=O)C
SPLASH splash10-0005-0090600000-a20fbc7e8b1eb5a5ef86
Source of Spectrum E1-42-836-9
Wiley ID 1552508