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

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-2-[2-(sulfanylmethyl)butanoylamino]propanoic acid Openeye Name: 3-(p-tolylmethylsulfanyl)-2-[2-(sulfanylmethyl)butanoylamino]propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxobutyl]amino]-3-[(4-methylphenyl)methylthio]propanoic acid IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-2-[2-(sulfanylmethyl)butanoylamino]propanoic acid Traditional Name: 2-[2-(mercaptomethyl)butanoylamino]-3-[(4-methylbenzyl)thio]propionic acid Formula: C16H23NO3S2 MolecularWeight: 341.48872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CS)C(=O)NC(CSCC1=CC=C(C=C1)C)C(=O)O

Isomeric SMILES

CCC(CS)C(=O)NC(CSCC1=CC=C(C=C1)C)C(=O)O

InChI

InChI=1S/C16H23NO3S2/c1-3-13(8-21)15(18)17-14(16(19)20)10-22-9-12-6-4-11(2)5-7-12/h4-7,13-14,21H,3,8-10H2,1-2H3,(H,17,18)(H,19,20)