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

Systemtic Name: 1-(3-methyl-2-sulfanyl-butanoyl)-3-(phenylmethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-2-carboxamide Openeye Name: 3-benzyl-1-(3-methyl-2-sulfanyl-butanoyl)-N-[2-(3-pyridyl)ethyl]pyrrolidine-2-carboxamide CAS Name: 1-(2-mercapto-3-methyl-1-oxobutyl)-3-(phenylmethyl)-N-[2-(3-pyridinyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: 3-benzyl-1-(3-methyl-2-sulfanylbutanoyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-2-carboxamide Traditional Name: 3-benzyl-1-(2-mercapto-3-methyl-butanoyl)-N-[2-(3-pyridyl)ethyl]pyrrolidine-2-carboxamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(C1C(=O)NCCC2=CN=CC=C2)CC3=CC=CC=C3)S

Isomeric SMILES

CC(C)C(C(=O)N1CCC(C1C(=O)NCCC2=CN=CC=C2)CC3=CC=CC=C3)S

InChI

InChI=1S/C24H31N3O2S/c1-17(2)22(30)24(29)27-14-11-20(15-18-7-4-3-5-8-18)21(27)23(28)26-13-10-19-9-6-12-25-16-19/h3-9,12,16-17,20-22,30H,10-11,13-15H2,1-2H3,(H,26,28)