N-[3-methyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]-1-(3-methyl-2-sulfanyl-butanoyl)-3-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[3-methyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]-1-(3-methyl-2-sulfanyl-butanoyl)-3-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: 3-benzyl-N-[2-methyl-1-(methylcarbamoyl)propyl]-1-(3-methyl-2-sulfanyl-butanoyl)pyrrolidine-2-carboxamide CAS Name: 1-(2-mercapto-3-methyl-1-oxobutyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-3-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: 3-benzyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1-(3-methyl-2-sulfanylbutanoyl)pyrrolidine-2-carboxamide Traditional Name: 3-benzyl-1-(2-mercapto-3-methyl-butanoyl)-N-[2-methyl-1-(methylcarbamoyl)propyl]pyrrolidine-2-carboxamide Formula: C23H35N3O3S MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O3S/c1-14(2)18(21(27)24-5)25-22(28)19-17(13-16-9-7-6-8-10-16)11-12-26(19)23(29)20(30)15(3)4/h6-10,14-15,17-20,30H,11-13H2,1-5H3,(H,24,27)(H,25,28)