3-[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]propanoic acid

Systemtic Name: 3-[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-(p-tolylmethylsulfanyl)acetyl]amino]propanoic acid CAS Name: 3-[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[(4-methylbenzyl)thio]acetyl]amino]propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-10-2-4-11(5-3-10)8-18-9-12(15)14-7-6-13(16)17/h2-5H,6-9H2,1H3,(H,14,15)(H,16,17)