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

Systemtic Name: 3-methyl-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-[(3-methylbenzyl)thio]acetyl]amino]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-10(2)14(15(18)19)16-13(17)9-20-8-12-6-4-5-11(3)7-12/h4-7,10,14H,8-9H2,1-3H3,(H,16,17)(H,18,19)