N-(2-methylpropyl)-1-(3-methyl-2-sulfanyl-butanoyl)-3-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-(3-methyl-2-sulfanyl-butanoyl)-3-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: 3-benzyl-N-isobutyl-1-(3-methyl-2-sulfanyl-butanoyl)pyrrolidine-2-carboxamide CAS Name: 1-(2-mercapto-3-methyl-1-oxobutyl)-N-(2-methylpropyl)-3-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: 3-benzyl-N-(2-methylpropyl)-1-(3-methyl-2-sulfanylbutanoyl)pyrrolidine-2-carboxamide Traditional Name: 3-benzyl-N-isobutyl-1-(2-mercapto-3-methyl-butanoyl)pyrrolidine-2-carboxamide Formula: C21H32N2O2S MolecularWeight: 376.55598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1C(CCN1C(=O)C(C(C)C)S)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)C1C(CCN1C(=O)C(C(C)C)S)CC2=CC=CC=C2

InChI

InChI=1S/C21H32N2O2S/c1-14(2)13-22-20(24)18-17(12-16-8-6-5-7-9-16)10-11-23(18)21(25)19(26)15(3)4/h5-9,14-15,17-19,26H,10-13H2,1-4H3,(H,22,24)