(3R)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(2-methoxyethanoyl)-N1-propan-2-yl-piperazine-1,3-dicarboxamide

Systemtic Name: (3R)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(2-methoxyethanoyl)-N1-propan-2-yl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N3-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-N1-isopropyl-4-(2-methoxyacetyl)piperazine-1,3-dicarboxamide CAS Name: (3R)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxy-1-oxoethyl)-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide Traditional Name: (3R)-N'-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-N-isopropyl-4-(2-methoxyacetyl)piperazine-1,3-dicarboxamide Formula: C21H37N5O5 MolecularWeight: 439.54898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)NC(CC2CCCCC2)C(=O)N)C(=O)COC

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@H](C1)C(=O)N[C@@H](CC2CCCCC2)C(=O)N)C(=O)COC

InChI

InChI=1S/C21H37N5O5/c1-14(2)23-21(30)25-9-10-26(18(27)13-31-3)17(12-25)20(29)24-16(19(22)28)11-15-7-5-4-6-8-15/h14-17H,4-13H2,1-3H3,(H2,22,28)(H,23,30)(H,24,29)/t16-,17+/m0/s1