3-[(4-methylphenyl)methylsulfanyl]-2-[[3-methyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3S2/c1-11(2)14(8-22)16(19)18-15(17(20)21)10-23-9-13-6-4-12(3)5-7-13/h4-7,11,14-15,22H,8-10H2,1-3H3,(H,18,19)(H,20,21)