2-[[4-methyl-2-(phenylmethyl)-3-sulfanyl-pentanoyl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[4-methyl-2-(phenylmethyl)-3-sulfanyl-pentanoyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-(2-benzyl-4-methyl-3-sulfanyl-pentanoyl)anilino)acetic acid CAS Name: 2-(N-[3-mercapto-4-methyl-1-oxo-2-(phenylmethyl)pentyl]anilino)acetic acid IUPAC Name: 2-(N-(2-benzyl-4-methyl-3-sulfanylpentanoyl)anilino)acetic acid Traditional Name: 2-(N-(2-benzyl-3-mercapto-4-methyl-pentanoyl)anilino)acetic acid Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC=CC=C2)S

Isomeric SMILES

CC(C)C(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC=CC=C2)S

InChI

InChI=1S/C21H25NO3S/c1-15(2)20(26)18(13-16-9-5-3-6-10-16)21(25)22(14-19(23)24)17-11-7-4-8-12-17/h3-12,15,18,20,26H,13-14H2,1-2H3,(H,23,24)