2-[(3-phenylmethoxyphenyl)-[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]ethanoic acid

Systemtic Name: 2-[(3-phenylmethoxyphenyl)-[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]ethanoic acid Openeye Name: 2-(3-benzyloxy-N-[4-phenyl-2-(sulfanylmethyl)butanoyl]anilino)acetic acid CAS Name: 2-(N-[2-(mercaptomethyl)-1-oxo-4-phenylbutyl]-3-phenylmethoxyanilino)acetic acid IUPAC Name: 2-(3-phenylmethoxy-N-[4-phenyl-2-(sulfanylmethyl)butanoyl]anilino)acetic acid Traditional Name: 2-(3-benzoxy-N-[2-(mercaptomethyl)-4-phenyl-butanoyl]anilino)acetic acid Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CS)C(=O)N(CC(=O)O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(CS)C(=O)N(CC(=O)O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO4S/c28-25(29)17-27(26(30)22(19-32)15-14-20-8-3-1-4-9-20)23-12-7-13-24(16-23)31-18-21-10-5-2-6-11-21/h1-13,16,22,32H,14-15,17-19H2,(H,28,29)