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Benzoic acid, 4-[[2-[2-(benzoylamino)-1-oxo-3-[(phenylmethyl)thio]propoxy]acetyl]amino]-, ethyl ester
SpectraBase Compound ID GU7GlEfQB4J
InChI InChI=1S/C28H28N2O6S/c1-2-35-27(33)22-13-15-23(16-14-22)29-25(31)17-36-28(34)24(19-37-18-20-9-5-3-6-10-20)30-26(32)21-11-7-4-8-12-21/h3-16,24H,2,17-19H2,1H3,(H,29,31)(H,30,32)
InChIKey HGMYXLGJGZMKLM-UHFFFAOYSA-N
Mol Weight 520.6 g/mol
Molecular Formula C28H28N2O6S
Exact Mass 520.166808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44cGAu6i9I
Name Benzoic acid, 4-[[2-[2-(benzoylamino)-1-oxo-3-[(phenylmethyl)thio]propoxy]acetyl]amino]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28N2O6S
InChI InChI=1S/C28H28N2O6S/c1-2-35-27(33)22-13-15-23(16-14-22)29-25(31)17-36-28(34)24(19-37-18-20-9-5-3-6-10-20)30-26(32)21-11-7-4-8-12-21/h3-16,24H,2,17-19H2,1H3,(H,29,31)(H,30,32)
InChIKey HGMYXLGJGZMKLM-UHFFFAOYSA-N
Molecular Weight 520.600 g/mol
SMILES N(C(C(OCC(=O)Nc1ccc(cc1)C(OCC)=O)=O)CSCc1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0adl-9700000000-cf85d52c7490c26c504a
Source of Spectrum IY-1-4527-6
Synonyms 4-[[2-[2-benzamido-1-oxo-3-(phenylmethylthio)propoxy]-1-oxoethyl]amino]benzoic acid ethyl ester Ethyl 4-[[2-(2-benzamido-3-benzylsulfanylpropanoyl)oxyacetyl]amino]benzoate Ethyl 4-[[2-(2-benzamido-3-benzylsulfanyl-propanoyl)oxyacetyl]amino]benzoate Ethyl 4-[2-[2-benzamido-3-(phenylmethylsulfanyl)propanoyl]oxyethanoylamino]benzoate
Wiley ID 1653259