(3R)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-piperidin-1-ium-4-ylcarbonyl-N1-propan-2-yl-piperazine-1,3-dicarboxamide

Systemtic Name: (3R)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-piperidin-1-ium-4-ylcarbonyl-N1-propan-2-yl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N3-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-N1-isopropyl-4-(piperidin-1-ium-4-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3R)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[oxo(4-piperidin-1-iumyl)methyl]-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide Traditional Name: (3R)-N'-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-N-isopropyl-4-(piperidin-1-ium-4-carbonyl)piperazine-1,3-dicarboxamide Formula: C24H43N6O4+ MolecularWeight: 479.63602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42N6O4/c1-16(2)27-24(34)29-12-13-30(23(33)18-8-10-26-11-9-18)20(15-29)22(32)28-19(21(25)31)14-17-6-4-3-5-7-17/h16-20,26H,3-15H2,1-2H3,(H2,25,31)(H,27,34)(H,28,32)/p+1/t19-,20+/m0/s1