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2-[2-methyl-1-methylsulfanyl-3-oxidanylidene-3-(phenethylamino)propyl]pyrrolidine-1-carboxylic acid

2-[2-methyl-1-methylsulfanyl-3-oxidanylidene-3-(phenethylamino)propyl]pyrrolidine-1-carboxylic acid

Systemtic Name:2-[2-methyl-1-methylsulfanyl-3-oxidanylidene-3-(phenethylamino)propyl]pyrrolidine-1-carboxylic acid
Openeye Name:2-[2-methyl-1-methylsulfanyl-3-oxo-3-(phenethylamino)propyl]pyrrolidine-1-carboxylic acid
CAS Name:2-[2-methyl-1-(methylthio)-3-oxo-3-(phenethylamino)propyl]-1-pyrrolidinecarboxylic acid
IUPAC Name:2-[2-methyl-1-methylsulfanyl-3-oxo-3-(phenethylamino)propyl]pyrrolidine-1-carboxylic acid
Traditional Name:2-[3-keto-2-methyl-1-(methylthio)-3-(phenethylamino)propyl]pyrrolidine-1-carboxylic acid
Formula: C18H26N2O3S
MolecularWeight: 350.47564
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H26N2O3S/c1-13(16(24-2)15-9-6-12-20(15)18(22)23)17(21)19-11-10-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H,19,21)(H,22,23)


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