methyl (2R)-2-[[(2S)-1-thiophen-2-ylcarbonylpiperazin-4-ium-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-1-thiophen-2-ylcarbonylpiperazin-4-ium-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(thiophene-2-carbonyl)piperazin-4-ium-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[oxo-[(2S)-1-[oxo(thiophen-2-yl)methyl]-2-piperazin-4-iumyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(thiophene-2-carbonyl)piperazin-4-ium-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-1-(2-thenoyl)piperazin-4-ium-2-carbonyl]amino]propionic acid methyl ester Formula: C14H20N3O4S+ MolecularWeight: 326.3913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1C[NH2+]CCN1C(=O)C2=CC=CS2

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1C[NH2+]CCN1C(=O)C2=CC=CS2

InChI

InChI=1S/C14H19N3O4S/c1-9(14(20)21-2)16-12(18)10-8-15-5-6-17(10)13(19)11-4-3-7-22-11/h3-4,7,9-10,15H,5-6,8H2,1-2H3,(H,16,18)/p+1/t9-,10+/m1/s1