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

Systemtic Name: methyl (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)piperazin-4-ium-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)piperazin-4-ium-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-1-[(cyclohexylamino)-oxomethyl]-2-piperazin-4-iumyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)piperazin-4-ium-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)piperazin-4-ium-2-carbonyl]amino]propionic acid methyl ester Formula: C16H29N4O4+ MolecularWeight: 341.42586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1C[NH2+]CCN1C(=O)NC2CCCCC2

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1C[NH2+]CCN1C(=O)NC2CCCCC2

InChI

InChI=1S/C16H28N4O4/c1-11(15(22)24-2)18-14(21)13-10-17-8-9-20(13)16(23)19-12-6-4-3-5-7-12/h11-13,17H,3-10H2,1-2H3,(H,18,21)(H,19,23)/p+1/t11-,13+/m1/s1