(2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)propionamide Formula: C16H25N4O4+ MolecularWeight: 337.3941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)[NH+]1CCN(CC1)C(=O)C2=CC=CO2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)[NH+]1CCN(CC1)C(=O)C2=CC=CO2

InChI

InChI=1S/C16H24N4O4/c1-11(2)17-16(23)18-14(21)12(3)19-6-8-20(9-7-19)15(22)13-5-4-10-24-13/h4-5,10-12H,6-9H2,1-3H3,(H2,17,18,21,23)/p+1/t12-/m0/s1