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

Systemtic Name: methyl (2S,4S)-1-(naphthalen-1-ylmethyl)-4-[(2-pyrazol-1-ylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-(1-naphthylmethyl)-4-[(2-pyrazol-1-ylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-(1-naphthalenylmethyl)-4-[[oxo-[2-(1-pyrazolyl)phenyl]methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-(naphthalen-1-ylmethyl)-4-[(2-pyrazol-1-ylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-(1-naphthylmethyl)-4-[(2-pyrazol-1-ylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C27H27N4O3+ MolecularWeight: 455.52828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CC=C4N5C=CC=N5

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CC=C4N5C=CC=N5

InChI

InChI=1S/C27H26N4O3/c1-34-27(33)25-16-21(18-30(25)17-20-10-6-9-19-8-2-3-11-22(19)20)29-26(32)23-12-4-5-13-24(23)31-15-7-14-28-31/h2-15,21,25H,16-18H2,1H3,(H,29,32)/p+1/t21-,25-/m0/s1