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

Systemtic Name: 2-[methyl-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[methyl-[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[methyl-[2-[methyl(tosyl)amino]acetyl]amino]-3-phenyl-propionic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-15-9-11-17(12-10-15)28(26,27)21(2)14-19(23)22(3)18(20(24)25)13-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,24,25)