methyl (2S,4R)-4-[(4-phenylphenyl)carbonylamino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[(4-phenylphenyl)carbonylamino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(4-phenylbenzoyl)amino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[oxo-(4-phenylphenyl)methyl]amino]-1-(3-phenylpropyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(4-phenylbenzoyl)amino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-[(4-phenylbenzoyl)amino]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C28H31N2O3+ MolecularWeight: 443.55734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CCCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](C[NH+]1CCCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3/c1-33-28(32)26-19-25(20-30(26)18-8-11-21-9-4-2-5-10-21)29-27(31)24-16-14-23(15-17-24)22-12-6-3-7-13-22/h2-7,9-10,12-17,25-26H,8,11,18-20H2,1H3,(H,29,31)/p+1/t25-,26+/m1/s1