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(2S)-2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoyl]amino]glutaric acid
SpectraBase Compound ID DsX3C9Va3rM
InChI InChI=1S/C17H23ClN2O8S/c1-29(26,27)28-11-10-20(9-8-18)13-4-2-12(3-5-13)16(23)19-14(17(24)25)6-7-15(21)22/h2-5,14H,6-11H2,1H3,(H,19,23)(H,21,22)(H,24,25)/t14-/m0/s1
InChIKey QVWYCTGTGHDWFQ-AWEZNQCLSA-N
Mol Weight 450.89 g/mol
Molecular Formula C17H23ClN2O8S
Exact Mass 450.086365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92f9KZ1qGhE
Name (2S)-2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoyl]amino]glutaric acid
CAS Registry Number 122665-73-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23ClN2O8S
InChI InChI=1S/C17H23ClN2O8S/c1-29(26,27)28-11-10-20(9-8-18)13-4-2-12(3-5-13)16(23)19-14(17(24)25)6-7-15(21)22/h2-5,14H,6-11H2,1H3,(H,19,23)(H,21,22)(H,24,25)/t14-/m0/s1
InChIKey QVWYCTGTGHDWFQ-AWEZNQCLSA-N
Molecular Weight 450.890 g/mol
SMILES N(C(c1ccc(N(CCOS(=O)(=O)C)CCCl)cc1)=O)[C@@](CCC(=O)O)(C(=O)O)[H]
SPLASH splash10-0udi-0009200000-fd78b7f512263831cc59
Source of Spectrum F-46-5381-3
Synonyms (2S)-2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenyl]carbonylamino]pentanedioic acid (2S)-2-[[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid 4-((2-chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid 4-cema-benzoyl-glutamic acid N-(4-((2-chloroethyl)(2-((methylsulfonyl)oxy)ethyl)amino)benzoyl)-L-glutamic acid
Wiley ID 1387554