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

Systemtic Name: 1-(3-methyl-2-sulfanyl-butanoyl)-N-phenethyl-3-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: 3-benzyl-1-(3-methyl-2-sulfanyl-butanoyl)-N-phenethyl-pyrrolidine-2-carboxamide CAS Name: 1-(2-mercapto-3-methyl-1-oxobutyl)-N-phenethyl-3-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: 3-benzyl-1-(3-methyl-2-sulfanylbutanoyl)-N-phenethylpyrrolidine-2-carboxamide Traditional Name: 3-benzyl-1-(2-mercapto-3-methyl-butanoyl)-N-phenethyl-pyrrolidine-2-carboxamide Formula: C25H32N2O2S MolecularWeight: 424.59878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O2S/c1-18(2)23(30)25(29)27-16-14-21(17-20-11-7-4-8-12-20)22(27)24(28)26-15-13-19-9-5-3-6-10-19/h3-12,18,21-23,30H,13-17H2,1-2H3,(H,26,28)