methyl (2S,4R)-1-[(4-methylsulfanylphenyl)methyl]-4-[(4-pyrazol-1-ylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[(4-methylsulfanylphenyl)methyl]-4-[(4-pyrazol-1-ylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(4-methylsulfanylphenyl)methyl]-4-[(4-pyrazol-1-ylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[[4-(methylthio)phenyl]methyl]-4-[[oxo-[4-(1-pyrazolyl)phenyl]methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(4-methylsulfanylphenyl)methyl]-4-[(4-pyrazol-1-ylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-[4-(methylthio)benzyl]-4-[(4-pyrazol-1-ylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C24H27N4O3S+ MolecularWeight: 451.56118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2=CC=C(C=C2)SC)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](C[NH+]1CC2=CC=C(C=C2)SC)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C24H26N4O3S/c1-31-24(30)22-14-19(16-27(22)15-17-4-10-21(32-2)11-5-17)26-23(29)18-6-8-20(9-7-18)28-13-3-12-25-28/h3-13,19,22H,14-16H2,1-2H3,(H,26,29)/p+1/t19-,22+/m1/s1