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

Systemtic Name: methyl (2S,4S)-1-[(2-methoxyphenyl)methyl]-4-[(2-phenylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(2-methoxyphenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-[(2-methoxyphenyl)methyl]-4-[[oxo-(2-phenylphenyl)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(2-methoxyphenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-o-anisyl-4-[(2-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C27H29N2O4+ MolecularWeight: 445.53016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2C[C@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4/c1-32-25-15-9-6-12-20(25)17-29-18-21(16-24(29)27(31)33-2)28-26(30)23-14-8-7-13-22(23)19-10-4-3-5-11-19/h3-15,21,24H,16-18H2,1-2H3,(H,28,30)/p+1/t21-,24-/m0/s1