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

Systemtic Name: (3R)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-cyclohexylcarbonyl-N1-propan-2-yl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N3-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(cyclohexanecarbonyl)-N1-isopropyl-piperazine-1,3-dicarboxamide CAS Name: (3R)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[cyclohexyl(oxo)methyl]-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide Traditional Name: (3R)-N'-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-(cyclohexanecarbonyl)-N-isopropyl-piperazine-1,3-dicarboxamide Formula: C25H43N5O4 MolecularWeight: 477.64002

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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)C3CCCCC3

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@H](C1)C(=O)N[C@@H](CC2CCCCC2)C(=O)N)C(=O)C3CCCCC3

InChI

InChI=1S/C25H43N5O4/c1-17(2)27-25(34)29-13-14-30(24(33)19-11-7-4-8-12-19)21(16-29)23(32)28-20(22(26)31)15-18-9-5-3-6-10-18/h17-21H,3-16H2,1-2H3,(H2,26,31)(H,27,34)(H,28,32)/t20-,21+/m0/s1