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

Systemtic Name: methyl (2R)-2-[[(2R)-4-ethanoyl-1-piperidin-1-ium-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2R)-4-acetyl-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-4-acetyl-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C17H29N4O5+ MolecularWeight: 369.43596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2CC[NH2+]CC2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O5/c1-11(17(25)26-3)19-15(23)14-10-20(12(2)22)8-9-21(14)16(24)13-4-6-18-7-5-13/h11,13-14,18H,4-10H2,1-3H3,(H,19,23)/p+1/t11-,14-/m1/s1