2-[[2-[(3-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]-(4-phenylphenyl)amino]propanoic acid

Systemtic Name: 2-[[2-[(3-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]-(4-phenylphenyl)amino]propanoic acid Openeye Name: 2-(N-[2-[(3-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]-4-phenyl-anilino)propanoic acid CAS Name: 2-(N-[2-(mercaptomethyl)-3-(3-methoxyphenyl)-1-oxopropyl]-4-phenylanilino)propanoic acid IUPAC Name: 2-(N-[2-[(3-methoxyphenyl)methyl]-3-sulfanylpropanoyl]-4-phenylanilino)propanoic acid Traditional Name: 2-(N-(2-m-anisyl-3-mercapto-propanoyl)-4-phenyl-anilino)propionic acid Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CC3=CC(=CC=C3)OC)CS

Isomeric SMILES

CC(C(=O)O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CC3=CC(=CC=C3)OC)CS

InChI

InChI=1S/C26H27NO4S/c1-18(26(29)30)27(23-13-11-21(12-14-23)20-8-4-3-5-9-20)25(28)22(17-32)15-19-7-6-10-24(16-19)31-2/h3-14,16,18,22,32H,15,17H2,1-2H3,(H,29,30)