ethyl 2-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[3-hydroxy-2-[methyl(p-tolylsulfonyl)amino]propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[3-hydroxy-2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-hydroxy-2-[methyl-(4-methylphenyl)sulfonylamino]propanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[3-hydroxy-2-[methyl(tosyl)amino]propanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)N(C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)N(C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H28N2O6S/c1-4-30-22(27)19(14-17-8-6-5-7-9-17)23-21(26)20(15-25)24(3)31(28,29)18-12-10-16(2)11-13-18/h5-13,19-20,25H,4,14-15H2,1-3H3,(H,23,26)