2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[2-[(3-methylbenzyl)thio]acetyl]amino]butyric acid Formula: C14H19NO4S MolecularWeight: 297.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-9-4-3-5-11(6-9)7-20-8-12(17)15-13(10(2)16)14(18)19/h3-6,10,13,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)