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2-[[2-(2-benzamido-1-oxoethoxy)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
SpectraBase Compound ID TpIZiJFtuB
InChI InChI=1S/C22H24N2O6S/c1-29-22(28)18(15-31-14-16-8-4-2-5-9-16)24-19(25)13-30-20(26)12-23-21(27)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,23,27)(H,24,25)
InChIKey DXBQIZQZYVXZOD-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C22H24N2O6S
Exact Mass 444.135508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IbNJC6xvlB
Name 2-[[2-(2-benzamido-1-oxoethoxy)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester
Alternate Name(s) 3-(benzylthio)-2-[(2-hippuroyloxyacetyl)amino]propionic acid methyl ester Methyl 2-[2-(2-benzamidoethanoyloxy)ethanoylamino]-3-(phenylmethylsulfanyl)propanoate Methyl 2-[[2-(2-benzamidoacetyl)oxyacetyl]amino]-3-benzylsulfanyl-propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N2O6S
InChI InChI=1S/C22H24N2O6S/c1-29-22(28)18(15-31-14-16-8-4-2-5-9-16)24-19(25)13-30-20(26)12-23-21(27)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,23,27)(H,24,25)
InChIKey DXBQIZQZYVXZOD-UHFFFAOYSA-N
Molecular Weight 444.502 g/mol
SMILES N(C(COC(CNC(=O)c1ccccc1)=O)=O)C(CSCc1ccccc1)C(OC)=O
SPLASH splash10-052f-9400000000-12002a9375bce58f773e
Wiley ID 1512255