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

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-2-[2-(sulfanylmethyl)pentanoylamino]propanoic acid Openeye Name: 3-(p-tolylmethylsulfanyl)-2-[2-(sulfanylmethyl)pentanoylamino]propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxopentyl]amino]-3-[(4-methylphenyl)methylthio]propanoic acid IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-2-[2-(sulfanylmethyl)pentanoylamino]propanoic acid Traditional Name: 2-[2-(mercaptomethyl)pentanoylamino]-3-[(4-methylbenzyl)thio]propionic acid Formula: C17H25NO3S2 MolecularWeight: 355.5153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3S2/c1-3-4-14(9-22)16(19)18-15(17(20)21)11-23-10-13-7-5-12(2)6-8-13/h5-8,14-15,22H,3-4,9-11H2,1-2H3,(H,18,19)(H,20,21)