3-[(3-methylphenyl)methylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid

Systemtic Name: 3-[(3-methylphenyl)methylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: 2-[(2-methyl-3-sulfanyl-propanoyl)amino]-3-(m-tolylmethylsulfanyl)propanoic acid CAS Name: 2-[(3-mercapto-2-methyl-1-oxopropyl)amino]-3-[(3-methylphenyl)methylthio]propanoic acid IUPAC Name: 3-[(3-methylphenyl)methylsulfanyl]-2-[(2-methyl-3-sulfanylpropanoyl)amino]propanoic acid Traditional Name: 2-[(3-mercapto-2-methyl-propanoyl)amino]-3-[(3-methylbenzyl)thio]propionic acid Formula: C15H21NO3S2 MolecularWeight: 327.46214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(C(=O)O)NC(=O)C(C)CS

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(C(=O)O)NC(=O)C(C)CS

InChI

InChI=1S/C15H21NO3S2/c1-10-4-3-5-12(6-10)8-21-9-13(15(18)19)16-14(17)11(2)7-20/h3-6,11,13,20H,7-9H2,1-2H3,(H,16,17)(H,18,19)