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

Systemtic Name: 2-[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[benzyl(p-tolylsulfonyl)amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[benzyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[benzyl(tosyl)amino]acetyl]amino]-3-phenyl-propionic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H26N2O5S/c1-19-12-14-22(15-13-19)33(31,32)27(17-21-10-6-3-7-11-21)18-24(28)26-23(25(29)30)16-20-8-4-2-5-9-20/h2-15,23H,16-18H2,1H3,(H,26,28)(H,29,30)