2-[[3-methyl-2-(sulfanylmethyl)butanoyl]-(4-phenylphenyl)amino]propanoic acid

Systemtic Name: 2-[[3-methyl-2-(sulfanylmethyl)butanoyl]-(4-phenylphenyl)amino]propanoic acid Openeye Name: 2-(N-[3-methyl-2-(sulfanylmethyl)butanoyl]-4-phenyl-anilino)propanoic acid CAS Name: 2-(N-[2-(mercaptomethyl)-3-methyl-1-oxobutyl]-4-phenylanilino)propanoic acid IUPAC Name: 2-(N-[3-methyl-2-(sulfanylmethyl)butanoyl]-4-phenylanilino)propanoic acid Traditional Name: 2-(N-[2-(mercaptomethyl)-3-methyl-butanoyl]-4-phenyl-anilino)propionic acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-14(2)19(13-26)20(23)22(15(3)21(24)25)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,14-15,19,26H,13H2,1-3H3,(H,24,25)