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

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[benzyl(p-tolylsulfonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[benzyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[benzyl(tosyl)amino]-3-phenyl-propionic acid Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H23NO4S/c1-18-12-14-21(15-13-18)29(27,28)24(17-20-10-6-3-7-11-20)22(23(25)26)16-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,25,26)/t22-/m0/s1