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

Systemtic Name: methyl (2R)-2-[[(2S)-1-(2-methoxyethanoyl)piperazin-4-ium-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(2-methoxyacetyl)piperazin-4-ium-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-1-(2-methoxy-1-oxoethyl)-2-piperazin-4-iumyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(2-methoxyacetyl)piperazin-4-ium-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-1-(2-methoxyacetyl)piperazin-4-ium-2-carbonyl]amino]propionic acid methyl ester Formula: C12H22N3O5+ MolecularWeight: 288.32018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O5/c1-8(12(18)20-3)14-11(17)9-6-13-4-5-15(9)10(16)7-19-2/h8-9,13H,4-7H2,1-3H3,(H,14,17)/p+1/t8-,9+/m1/s1