N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-(phenylcarbamoyl)propyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide CAS Name: N-[(2S)-1-anilino-4-(methylthio)-1-oxobutan-2-yl]-5-oxo-1-phenyl-3-pyrrolidinecarboxamide IUPAC Name: N-[(2S)-1-anilino-4-methylsulfanyl-1-oxobutan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide Traditional Name: 5-keto-N-[(1S)-3-(methylthio)-1-(phenylcarbamoyl)propyl]-1-phenyl-pyrrolidine-3-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-29-13-12-19(22(28)23-17-8-4-2-5-9-17)24-21(27)16-14-20(26)25(15-16)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3,(H,23,28)(H,24,27)/t16?,19-/m0/s1