2-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoyl]-phenyl-amino]propanoic acid

Systemtic Name: 2-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoyl]-phenyl-amino]propanoic acid Openeye Name: 2-(N-[2-[methyl(p-tolylsulfonyl)amino]-3-phenyl-propanoyl]anilino)propanoic acid CAS Name: 2-(N-[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]anilino)propanoic acid IUPAC Name: 2-(N-[2-[methyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]anilino)propanoic acid Traditional Name: 2-(N-[2-[methyl(tosyl)amino]-3-phenyl-propanoyl]anilino)propionic acid Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(CC2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(C)C(=O)O

InChI

InChI=1S/C26H28N2O5S/c1-19-14-16-23(17-15-19)34(32,33)27(3)24(18-21-10-6-4-7-11-21)25(29)28(20(2)26(30)31)22-12-8-5-9-13-22/h4-17,20,24H,18H2,1-3H3,(H,30,31)