2-[[2-(ethanoylsulfanylmethyl)-5-phenyl-pentanoyl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-5-phenyl-pentanoyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-(acetylsulfanylmethyl)-5-phenyl-pentanoyl]anilino)acetic acid CAS Name: 2-(N-[2-[(acetylthio)methyl]-1-oxo-5-phenylpentyl]anilino)acetic acid IUPAC Name: 2-(N-[2-(acetylsulfanylmethyl)-5-phenylpentanoyl]anilino)acetic acid Traditional Name: 2-(N-[2-[(acetylthio)methyl]-5-phenyl-pentanoyl]anilino)acetic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCCC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(CCCC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO4S/c1-17(24)28-16-19(12-8-11-18-9-4-2-5-10-18)22(27)23(15-21(25)26)20-13-6-3-7-14-20/h2-7,9-10,13-14,19H,8,11-12,15-16H2,1H3,(H,25,26)