(2S,6R)-6-[2-(butylamino)-2-oxidanylidene-ethyl]-N-cyclohexyl-2-(2-methylpropyl)-3-oxidanylidene-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

Systemtic Name: (2S,6R)-6-[2-(butylamino)-2-oxidanylidene-ethyl]-N-cyclohexyl-2-(2-methylpropyl)-3-oxidanylidene-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide Openeye Name: (2S,6R)-6-[2-(butylamino)-2-oxo-ethyl]-N-cyclohexyl-2-isobutyl-3-oxo-4-(3-pyridylmethyl)piperazine-1-carboxamide CAS Name: (2S,6R)-6-[2-(butylamino)-2-oxoethyl]-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-4-(3-pyridinylmethyl)-1-piperazinecarboxamide IUPAC Name: (2S,6R)-6-[2-(butylamino)-2-oxoethyl]-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide Traditional Name: (2S,6R)-6-[2-(butylamino)-2-keto-ethyl]-N-cyclohexyl-2-isobutyl-3-keto-4-(3-pyridylmethyl)piperazine-1-carboxamide Formula: C27H43N5O3 MolecularWeight: 485.66202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1CN(C(=O)C(N1C(=O)NC2CCCCC2)CC(C)C)CC3=CN=CC=C3

Isomeric SMILES

CCCCNC(=O)C[C@@H]1CN(C(=O)[C@@H](N1C(=O)NC2CCCCC2)CC(C)C)CC3=CN=CC=C3

InChI

InChI=1S/C27H43N5O3/c1-4-5-14-29-25(33)16-23-19-31(18-21-10-9-13-28-17-21)26(34)24(15-20(2)3)32(23)27(35)30-22-11-7-6-8-12-22/h9-10,13,17,20,22-24H,4-8,11-12,14-16,18-19H2,1-3H3,(H,29,33)(H,30,35)/t23-,24+/m1/s1