2-[2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[(3-methylbenzyl)thio]acetyl]amino]acetyl]amino]acetic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C14H18N2O4S/c1-10-3-2-4-11(5-10)8-21-9-13(18)15-6-12(17)16-7-14(19)20/h2-5H,6-9H2,1H3,(H,15,18)(H,16,17)(H,19,20)