4-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]pentanoic acid Openeye Name: 4-methyl-2-[[2-(p-tolylmethylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-[(4-methylbenzyl)thio]acetyl]amino]valeric acid Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-11(2)8-14(16(19)20)17-15(18)10-21-9-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10H2,1-3H3,(H,17,18)(H,19,20)