(2S)-1-[(2S,3R)-2-methyl-4-oxidanylidene-4-phenyl-3-pyrimidin-2-ylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S,3R)-2-methyl-4-oxidanylidene-4-phenyl-3-pyrimidin-2-ylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S,3R)-2-methyl-4-oxo-4-phenyl-3-pyrimidin-2-ylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S,3R)-2-methyl-1,4-dioxo-4-phenyl-3-(2-pyrimidinylthio)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S,3R)-2-methyl-4-oxo-4-phenyl-3-pyrimidin-2-ylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S,3R)-4-keto-2-methyl-4-phenyl-3-(2-pyrimidylthio)butanoyl]proline Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC=CC=C1)SC2=NC=CC=N2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

C[C@H]([C@H](C(=O)C1=CC=CC=C1)SC2=NC=CC=N2)C(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C20H21N3O4S/c1-13(18(25)23-12-5-9-15(23)19(26)27)17(28-20-21-10-6-11-22-20)16(24)14-7-3-2-4-8-14/h2-4,6-8,10-11,13,15,17H,5,9,12H2,1H3,(H,26,27)/t13-,15+,17-/m1/s1