2-[3-[2-(3-hydroxyphenyl)ethyl-methyl-amino]-2-methyl-1-methylsulfanyl-3-oxidanylidene-propyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[3-[2-(3-hydroxyphenyl)ethyl-methyl-amino]-2-methyl-1-methylsulfanyl-3-oxidanylidene-propyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[3-[2-(3-hydroxyphenyl)ethyl-methyl-amino]-2-methyl-1-methylsulfanyl-3-oxo-propyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[3-[2-(3-hydroxyphenyl)ethyl-methylamino]-2-methyl-1-(methylthio)-3-oxopropyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[3-[2-(3-hydroxyphenyl)ethyl-methylamino]-2-methyl-1-methylsulfanyl-3-oxopropyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[3-[2-(3-hydroxyphenyl)ethyl-methyl-amino]-3-keto-2-methyl-1-(methylthio)propyl]pyrrolidine-1-carboxylic acid Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1CCCN1C(=O)O)SC)C(=O)N(C)CCC2=CC(=CC=C2)O

Isomeric SMILES

CC(C(C1CCCN1C(=O)O)SC)C(=O)N(C)CCC2=CC(=CC=C2)O

InChI

InChI=1S/C19H28N2O4S/c1-13(17(26-3)16-8-5-10-21(16)19(24)25)18(23)20(2)11-9-14-6-4-7-15(22)12-14/h4,6-7,12-13,16-17,22H,5,8-11H2,1-3H3,(H,24,25)