(2S)-4-[(4-methylsulfanylphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2S)-4-[(4-methylsulfanylphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-4-[(4-methylsulfanylphenyl)methyl]-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-[[4-(methylthio)phenyl]methyl]-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-4-[(4-methylsulfanylphenyl)methyl]-1-(2-methyl-3-sulfanylpropanoyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-(3-mercapto-2-methyl-propanoyl)-4-[4-(methylthio)benzyl]-3-pyrroline-2-carboxylic acid Formula: C17H21NO3S2 MolecularWeight: 351.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(=CC1C(=O)O)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(CS)C(=O)N1CC(=C[C@H]1C(=O)O)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H21NO3S2/c1-11(10-22)16(19)18-9-13(8-15(18)17(20)21)7-12-3-5-14(23-2)6-4-12/h3-6,8,11,15,22H,7,9-10H2,1-2H3,(H,20,21)/t11?,15-/m0/s1