methyl (2R)-2-[[(2S)-1-cyclohexylcarbonyl-4-piperidin-1-ium-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-1-cyclohexylcarbonyl-4-piperidin-1-ium-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-1-[cyclohexyl(oxo)methyl]-4-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C22H37N4O5+ MolecularWeight: 437.55298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2CCCCC2)C(=O)C3CC[NH2+]CC3

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1CN(CCN1C(=O)C2CCCCC2)C(=O)C3CC[NH2+]CC3

InChI

InChI=1S/C22H36N4O5/c1-15(22(30)31-2)24-19(27)18-14-25(20(28)17-8-10-23-11-9-17)12-13-26(18)21(29)16-6-4-3-5-7-16/h15-18,23H,3-14H2,1-2H3,(H,24,27)/p+1/t15-,18+/m1/s1