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

Systemtic Name: methyl (2R)-2-[[(2S)-1-piperidin-1-ium-4-ylcarbonylpiperazin-4-ium-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(piperidin-1-ium-4-carbonyl)piperazin-4-ium-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[oxo-[(2S)-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazin-4-iumyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(piperidin-1-ium-4-carbonyl)piperazin-4-ium-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-1-(piperidin-1-ium-4-carbonyl)piperazin-4-ium-2-carbonyl]amino]propionic acid methyl ester Formula: C15H28N4O4+2 MolecularWeight: 328.40722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1C[NH2+]CCN1C(=O)C2CC[NH2+]CC2

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1C[NH2+]CCN1C(=O)C2CC[NH2+]CC2

InChI

InChI=1S/C15H26N4O4/c1-10(15(22)23-2)18-13(20)12-9-17-7-8-19(12)14(21)11-3-5-16-6-4-11/h10-12,16-17H,3-9H2,1-2H3,(H,18,20)/p+2/t10-,12+/m1/s1