methyl (2R)-2-[[(2R)-1-piperidin-1-ium-4-ylcarbonyl-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2R)-1-piperidin-1-ium-4-ylcarbonyl-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-1-(piperidin-1-ium-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[oxo-[(2R)-1-[oxo(4-piperidin-1-iumyl)methyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-1-(piperidin-1-ium-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-4-nicotinoyl-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C21H30N5O5+ MolecularWeight: 432.4934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2CC[NH2+]CC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@H]1CN(CCN1C(=O)C2CC[NH2+]CC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H29N5O5/c1-14(21(30)31-2)24-18(27)17-13-25(19(28)16-4-3-7-23-12-16)10-11-26(17)20(29)15-5-8-22-9-6-15/h3-4,7,12,14-15,17,22H,5-6,8-11,13H2,1-2H3,(H,24,27)/p+1/t14-,17-/m1/s1