[(3S,5S,6S)-5-(oxidanylcarbamoyl)-6-(4-phenylpiperazin-1-yl)carbonyl-piperidin-3-yl] pyrrolidine-1-carboxylate

Systemtic Name: [(3S,5S,6S)-5-(oxidanylcarbamoyl)-6-(4-phenylpiperazin-1-yl)carbonyl-piperidin-3-yl] pyrrolidine-1-carboxylate Openeye Name: [(3S,5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-3-piperidyl] pyrrolidine-1-carboxylate CAS Name: 1-pyrrolidinecarboxylic acid [(3S,5S,6S)-5-[(hydroxyamino)-oxomethyl]-6-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-piperidinyl] ester IUPAC Name: [(3S,5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)piperidin-3-yl] pyrrolidine-1-carboxylate Traditional Name: pyrrolidine-1-carboxylic acid [(3S,5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-3-piperidyl] ester Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)OC2CC(C(NC2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)NO

Isomeric SMILES

C1CCN(C1)C(=O)O[C@H]2C[C@@H]([C@H](NC2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)NO

InChI

InChI=1S/C22H31N5O5/c28-20(24-31)18-14-17(32-22(30)27-8-4-5-9-27)15-23-19(18)21(29)26-12-10-25(11-13-26)16-6-2-1-3-7-16/h1-3,6-7,17-19,23,31H,4-5,8-15H2,(H,24,28)/t17-,18-,19-/m0/s1