3-(2-acetamidoethylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-(2-acetamidoethylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-(2-acetamidoethylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-(2-acetamidoethylthio)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-(2-acetamidoethylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-(2-acetamidoethylthio)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C26H28N2O6S2 MolecularWeight: 528.64032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC(C1=CC=CC=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NCCSC(C1=CC=CC=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H28N2O6S2/c1-18(29)27-16-17-35-25(21-6-4-3-5-7-21)24(26(30)31)28-36(32,33)23-14-10-20(11-15-23)19-8-12-22(34-2)13-9-19/h3-15,24-25,28H,16-17H2,1-2H3,(H,27,29)(H,30,31)