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

Systemtic Name: methyl (2R)-2-[[(2S)-4-(3-fluorophenyl)carbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-4-[(3-fluorophenyl)-oxomethyl]-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C22H30FN4O5+ MolecularWeight: 449.495803

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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=CC(=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN4O5/c1-14(22(31)32-2)25-19(28)18-13-26(20(29)16-4-3-5-17(23)12-16)10-11-27(18)21(30)15-6-8-24-9-7-15/h3-5,12,14-15,18,24H,6-11,13H2,1-2H3,(H,25,28)/p+1/t14-,18+/m1/s1