(2S)-4-methylsulfanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-4-methylsulfanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]butanamide IUPAC Name: (2S)-4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-[3-(2-ketopyrrolidino)phenyl]-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC(=C1)N2CCCC2=O)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=CC(=C1)N2CCCC2=O)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4S/c1-31-14-12-20(25-21(27)16-30-19-9-3-2-4-10-19)23(29)24-17-7-5-8-18(15-17)26-13-6-11-22(26)28/h2-5,7-10,15,20H,6,11-14,16H2,1H3,(H,24,29)(H,25,27)/t20-/m0/s1