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

Systemtic Name: 2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[methyl(tosyl)amino]acetyl]amino]-3-phenyl-propionic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-14-8-10-16(11-9-14)27(25,26)21(2)13-18(22)20-17(19(23)24)12-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3,(H,20,22)(H,23,24)