methyl (2S,4S)-1-[(2-hydroxyphenyl)methyl]-4-[(2-phenylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-[(2-hydroxyphenyl)methyl]-4-[(2-phenylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(2-hydroxyphenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-[(2-hydroxyphenyl)methyl]-4-[[oxo-(2-phenylphenyl)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(2-hydroxyphenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[(2-phenylbenzoyl)amino]-1-salicyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C26H27N2O4+ MolecularWeight: 431.50358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2=CC=CC=C2O)NC(=O)C3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC=CC=C2O)NC(=O)C3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O4/c1-32-26(31)23-15-20(17-28(23)16-19-11-5-8-14-24(19)29)27-25(30)22-13-7-6-12-21(22)18-9-3-2-4-10-18/h2-14,20,23,29H,15-17H2,1H3,(H,27,30)/p+1/t20-,23-/m0/s1