(2R)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-piperidin-1-ium-4-ylcarbonyl-piperazin-4-ium-2-carboxamide

Systemtic Name: (2R)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-piperidin-1-ium-4-ylcarbonyl-piperazin-4-ium-2-carboxamide Openeye Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-1-(piperidin-1-ium-4-carbonyl)piperazin-4-ium-2-carboxamide CAS Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazin-4-iumcarboxamide IUPAC Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidin-1-ium-4-carbonyl)piperazin-4-ium-2-carboxamide Traditional Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-1-(piperidin-1-ium-4-carbonyl)piperazin-4-ium-2-carboxamide Formula: C20H37N5O3+2 MolecularWeight: 395.53948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2C[NH2+]CCN2C(=O)C3CC[NH2+]CC3

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@H]2C[NH2+]CCN2C(=O)C3CC[NH2+]CC3

InChI

InChI=1S/C20H35N5O3/c21-18(26)16(12-14-4-2-1-3-5-14)24-19(27)17-13-23-10-11-25(17)20(28)15-6-8-22-9-7-15/h14-17,22-23H,1-13H2,(H2,21,26)(H,24,27)/p+2/t16-,17+/m0/s1