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

Systemtic Name: [(3S,5S,6S)-1-methyl-5-(oxidanylcarbamoyl)-6-(4-phenylpiperazin-1-yl)carbonyl-piperidin-3-yl] azocane-1-carboxylate Openeye Name: [(3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenylpiperazine-1-carbonyl)-3-piperidyl] azocane-1-carboxylate CAS Name: 1-azocanecarboxylic acid [(3S,5S,6S)-5-[(hydroxyamino)-oxomethyl]-1-methyl-6-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-piperidinyl] ester IUPAC Name: [(3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenylpiperazine-1-carbonyl)piperidin-3-yl] azocane-1-carboxylate Traditional Name: azocane-1-carboxylic acid [(3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenylpiperazine-1-carbonyl)-3-piperidyl] ester Formula: C26H39N5O5 MolecularWeight: 501.61836

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC(C1C(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)NO)OC(=O)N4CCCCCCC4

Isomeric SMILES

CN1C[C@H](C[C@@H]([C@H]1C(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)NO)OC(=O)N4CCCCCCC4

InChI

InChI=1S/C26H39N5O5/c1-28-19-21(36-26(34)31-12-8-3-2-4-9-13-31)18-22(24(32)27-35)23(28)25(33)30-16-14-29(15-17-30)20-10-6-5-7-11-20/h5-7,10-11,21-23,35H,2-4,8-9,12-19H2,1H3,(H,27,32)/t21-,22-,23-/m0/s1