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

Systemtic Name: 2-[1-ethylsulfanyl-3-[2-(3-hydroxyphenyl)ethyl-methyl-amino]-2-methyl-3-oxidanylidene-propyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[1-ethylsulfanyl-3-[2-(3-hydroxyphenyl)ethyl-methyl-amino]-2-methyl-3-oxo-propyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[1-(ethylthio)-3-[2-(3-hydroxyphenyl)ethyl-methylamino]-2-methyl-3-oxopropyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[1-ethylsulfanyl-3-[2-(3-hydroxyphenyl)ethyl-methylamino]-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[1-(ethylthio)-3-[2-(3-hydroxyphenyl)ethyl-methyl-amino]-3-keto-2-methyl-propyl]pyrrolidine-1-carboxylic acid Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4S/c1-4-27-18(17-9-6-11-22(17)20(25)26)14(2)19(24)21(3)12-10-15-7-5-8-16(23)13-15/h5,7-8,13-14,17-18,23H,4,6,9-12H2,1-3H3,(H,25,26)