N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[(2S)-pyrrolidin-1-ium-2-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[(2S)-pyrrolidin-1-ium-2-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-(p-tolylmethylamino)ethyl]-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carboxamide CAS Name: N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-1-[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[(4-methylbenzyl)amino]ethyl]-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]isonipecotamide Formula: C28H37N4O3+ MolecularWeight: 477.61838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCN(CC3)C(=O)C4CCC[NH2+]4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3CCN(CC3)C(=O)[C@@H]4CCC[NH2+]4

InChI

InChI=1S/C28H36N4O3/c1-20-9-11-22(12-10-20)19-30-27(34)25(18-21-6-3-2-4-7-21)31-26(33)23-13-16-32(17-14-23)28(35)24-8-5-15-29-24/h2-4,6-7,9-12,23-25,29H,5,8,13-19H2,1H3,(H,30,34)(H,31,33)/p+1/t24-,25-/m0/s1