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

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(phenylsulfonyl)-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(benzenesulfonyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-besyl-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C26H40N5O5S+ MolecularWeight: 534.6913

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)C3CC[NH2+]CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CN(CCN2C(=O)C3CC[NH2+]CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H39N5O5S/c27-24(32)22(17-19-7-3-1-4-8-19)29-25(33)23-18-30(37(35,36)21-9-5-2-6-10-21)15-16-31(23)26(34)20-11-13-28-14-12-20/h2,5-6,9-10,19-20,22-23,28H,1,3-4,7-8,11-18H2,(H2,27,32)(H,29,33)/p+1/t22-,23-/m0/s1