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

Systemtic Name: 2-[1-ethylsulfanyl-3-[2-(3-hydroxyphenyl)ethylamino]-2-methyl-3-oxidanylidene-propyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[1-ethylsulfanyl-3-[2-(3-hydroxyphenyl)ethylamino]-2-methyl-3-oxo-propyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[1-(ethylthio)-3-[2-(3-hydroxyphenyl)ethylamino]-2-methyl-3-oxopropyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[1-ethylsulfanyl-3-[2-(3-hydroxyphenyl)ethylamino]-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[1-(ethylthio)-3-[2-(3-hydroxyphenyl)ethylamino]-3-keto-2-methyl-propyl]pyrrolidine-1-carboxylic acid Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1CCCN1C(=O)O)C(C)C(=O)NCCC2=CC(=CC=C2)O

Isomeric SMILES

CCSC(C1CCCN1C(=O)O)C(C)C(=O)NCCC2=CC(=CC=C2)O

InChI

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