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

Systemtic Name: (2R)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperazin-4-ium-2-carboxamide Openeye Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-1-(benzenesulfonyl)piperazin-4-ium-2-carboxamide CAS Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(benzenesulfonyl)-2-piperazin-4-iumcarboxamide IUPAC Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(benzenesulfonyl)piperazin-4-ium-2-carboxamide Traditional Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-1-besyl-piperazin-4-ium-2-carboxamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2C[NH2+]CCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@H]2C[NH2+]CCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H30N4O4S/c21-19(25)17(13-15-7-3-1-4-8-15)23-20(26)18-14-22-11-12-24(18)29(27,28)16-9-5-2-6-10-16/h2,5-6,9-10,15,17-18,22H,1,3-4,7-8,11-14H2,(H2,21,25)(H,23,26)/p+1/t17-,18+/m0/s1