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

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)-3-sulfanyl-propanoic acid Openeye Name: 2-(2-methylpropanoylamino)-3-(p-tolylmethylsulfanyl)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(2-methyl-1-oxopropyl)amino]-3-[(4-methylphenyl)methylthio]propanoic acid IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)-3-sulfanylpropanoic acid Traditional Name: 2-(isobutyrylamino)-3-mercapto-3-[(4-methylbenzyl)thio]propionic acid Formula: C15H21NO3S2 MolecularWeight: 327.46214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC(C(C(=O)O)NC(=O)C(C)C)S

Isomeric SMILES

CC1=CC=C(C=C1)CSC(C(C(=O)O)NC(=O)C(C)C)S

InChI

InChI=1S/C15H21NO3S2/c1-9(2)13(17)16-12(14(18)19)15(20)21-8-11-6-4-10(3)5-7-11/h4-7,9,12,15,20H,8H2,1-3H3,(H,16,17)(H,18,19)