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

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-ethanoyl-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C22H38N5O4+ MolecularWeight: 436.56822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)C(=O)NC(CC2CCCCC2)C(=O)N)C(=O)C3CC[NH2+]CC3

Isomeric SMILES

CC(=O)N1CCN([C@@H](C1)C(=O)N[C@@H](CC2CCCCC2)C(=O)N)C(=O)C3CC[NH2+]CC3

InChI

InChI=1S/C22H37N5O4/c1-15(28)26-11-12-27(22(31)17-7-9-24-10-8-17)19(14-26)21(30)25-18(20(23)29)13-16-5-3-2-4-6-16/h16-19,24H,2-14H2,1H3,(H2,23,29)(H,25,30)/p+1/t18-,19-/m0/s1