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

Systemtic Name: (2R)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-methylsulfonyl-piperazin-4-ium-2-carboxamide Openeye Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-1-methylsulfonyl-piperazin-4-ium-2-carboxamide CAS Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-methylsulfonyl-2-piperazin-4-iumcarboxamide IUPAC Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-methylsulfonylpiperazin-4-ium-2-carboxamide Traditional Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-1-mesyl-piperazin-4-ium-2-carboxamide Formula: C15H29N4O4S+ MolecularWeight: 361.48016

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH2+]CC1C(=O)NC(CC2CCCCC2)C(=O)N

Isomeric SMILES

CS(=O)(=O)N1CC[NH2+]C[C@@H]1C(=O)N[C@@H](CC2CCCCC2)C(=O)N

InChI

InChI=1S/C15H28N4O4S/c1-24(22,23)19-8-7-17-10-13(19)15(21)18-12(14(16)20)9-11-5-3-2-4-6-11/h11-13,17H,2-10H2,1H3,(H2,16,20)(H,18,21)/p+1/t12-,13+/m0/s1