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

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-methylsulfonyl-4-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-1-methylsulfonyl-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-methylsulfonyl-4-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-methylsulfonyl-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-1-mesyl-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C21H38N5O5S+ MolecularWeight: 472.62192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1C(=O)NC(CC2CCCCC2)C(=O)N)C(=O)C3CC[NH2+]CC3

Isomeric SMILES

CS(=O)(=O)N1CCN(C[C@H]1C(=O)N[C@@H](CC2CCCCC2)C(=O)N)C(=O)C3CC[NH2+]CC3

InChI

InChI=1S/C21H37N5O5S/c1-32(30,31)26-12-11-25(21(29)16-7-9-23-10-8-16)14-18(26)20(28)24-17(19(22)27)13-15-5-3-2-4-6-15/h15-18,23H,2-14H2,1H3,(H2,22,27)(H,24,28)/p+1/t17-,18-/m0/s1