ethyl 2-[[3-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-3-methylsulfanyl-propanoate

Systemtic Name: ethyl 2-[[3-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-3-methylsulfanyl-propanoate Openeye Name: ethyl 2-[[3-(4-hydroxyphenyl)-2-(p-tolylsulfonylamino)propanoyl]amino]-3-methylsulfanyl-propanoate CAS Name: 2-[[3-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]-3-(methylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-3-methylsulfanylpropanoate Traditional Name: 2-[[3-(4-hydroxyphenyl)-2-(tosylamino)propanoyl]amino]-3-(methylthio)propionic acid ethyl ester Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC)NC(=O)C(CC1=CC=C(C=C1)O)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(CSC)NC(=O)C(CC1=CC=C(C=C1)O)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H28N2O6S2/c1-4-30-22(27)20(14-31-3)23-21(26)19(13-16-7-9-17(25)10-8-16)24-32(28,29)18-11-5-15(2)6-12-18/h5-12,19-20,24-25H,4,13-14H2,1-3H3,(H,23,26)