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

Systemtic Name: 2-(2,3-dimethylbutanoylamino)-3-[(4-methylphenyl)methylsulfanyl]-3-sulfanyl-propanoic acid Openeye Name: 2-(2,3-dimethylbutanoylamino)-3-(p-tolylmethylsulfanyl)-3-sulfanyl-propanoic acid CAS Name: 2-[(2,3-dimethyl-1-oxobutyl)amino]-3-mercapto-3-[(4-methylphenyl)methylthio]propanoic acid IUPAC Name: 2-(2,3-dimethylbutanoylamino)-3-[(4-methylphenyl)methylsulfanyl]-3-sulfanylpropanoic acid Traditional Name: 2-(2,3-dimethylbutanoylamino)-3-mercapto-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)CSC(C(C(=O)O)NC(=O)C(C)C(C)C)S

Isomeric SMILES

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

InChI

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