2-[phenyl-[6-phenyl-2-(sulfanylmethyl)hexanoyl]amino]ethanoic acid

Systemtic Name: 2-[phenyl-[6-phenyl-2-(sulfanylmethyl)hexanoyl]amino]ethanoic acid Openeye Name: 2-(N-[6-phenyl-2-(sulfanylmethyl)hexanoyl]anilino)acetic acid CAS Name: 2-(N-[2-(mercaptomethyl)-1-oxo-6-phenylhexyl]anilino)acetic acid IUPAC Name: 2-(N-[6-phenyl-2-(sulfanylmethyl)hexanoyl]anilino)acetic acid Traditional Name: 2-(N-[2-(mercaptomethyl)-6-phenyl-hexanoyl]anilino)acetic acid Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(CS)C(=O)N(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(CS)C(=O)N(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO3S/c23-20(24)15-22(19-13-5-2-6-14-19)21(25)18(16-26)12-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,13-14,18,26H,7-8,11-12,15-16H2,(H,23,24)