N-[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[(2S)-pyrrolidin-2-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[(2S)-pyrrolidin-2-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(4-ethoxyanilino)-2-oxo-ethyl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide CAS Name: N-[(2S)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]-1-[oxo-[(2S)-2-pyrrolidinyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(p-phenetidino)ethyl]-1-[(2S)-prolyl]isonipecotamide Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCN(CC3)C(=O)C4CCCN4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3CCN(CC3)C(=O)[C@@H]4CCCN4

InChI

InChI=1S/C28H36N4O4/c1-2-36-23-12-10-22(11-13-23)30-27(34)25(19-20-7-4-3-5-8-20)31-26(33)21-14-17-32(18-15-21)28(35)24-9-6-16-29-24/h3-5,7-8,10-13,21,24-25,29H,2,6,9,14-19H2,1H3,(H,30,34)(H,31,33)/t24-,25-/m0/s1