methyl 1-[(2S)-3-(1H-imidazol-5-yl)-2-[(6-oxidanylidenepiperidin-2-yl)carbonylamino]propanoyl]piperidine-2-carboxylate

Systemtic Name: methyl 1-[(2S)-3-(1H-imidazol-5-yl)-2-[(6-oxidanylidenepiperidin-2-yl)carbonylamino]propanoyl]piperidine-2-carboxylate Openeye Name: methyl 1-[(2S)-3-(1H-imidazol-5-yl)-2-[(6-oxopiperidine-2-carbonyl)amino]propanoyl]piperidine-2-carboxylate CAS Name: 1-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-2-[[oxo-(6-oxo-2-piperidinyl)methyl]amino]propyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-3-(1H-imidazol-5-yl)-2-[(6-oxopiperidine-2-carbonyl)amino]propanoyl]piperidine-2-carboxylate Traditional Name: 1-[(2S)-3-(1H-imidazol-5-yl)-2-[(6-ketopipecoloyl)amino]propanoyl]pipecolinic acid methyl ester Formula: C19H27N5O5 MolecularWeight: 405.44818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1C(=O)C(CC2=CN=CN2)NC(=O)C3CCCC(=O)N3

Isomeric SMILES

COC(=O)C1CCCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)C3CCCC(=O)N3

InChI

InChI=1S/C19H27N5O5/c1-29-19(28)15-6-2-3-8-24(15)18(27)14(9-12-10-20-11-21-12)23-17(26)13-5-4-7-16(25)22-13/h10-11,13-15H,2-9H2,1H3,(H,20,21)(H,22,25)(H,23,26)/t13?,14-,15?/m0/s1