methyl (2R)-3-pyridin-3-yl-2-[[(2S)-1-thiophen-2-ylcarbonylpiperazin-4-ium-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-pyridin-3-yl-2-[[(2S)-1-thiophen-2-ylcarbonylpiperazin-4-ium-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-3-(3-pyridyl)-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]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-3-pyridin-3-yl-2-[[(2S)-1-(thiophene-2-carbonyl)piperazin-4-ium-2-carbonyl]amino]propanoate Traditional Name: (2R)-3-(3-pyridyl)-2-[[(2S)-1-(2-thenoyl)piperazin-4-ium-2-carbonyl]amino]propionic acid methyl ester Formula: C19H23N4O4S+ MolecularWeight: 403.47532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CC=C1)NC(=O)C2C[NH2+]CCN2C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H]2C[NH2+]CCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C19H22N4O4S/c1-27-19(26)14(10-13-4-2-6-20-11-13)22-17(24)15-12-21-7-8-23(15)18(25)16-5-3-9-28-16/h2-6,9,11,14-15,21H,7-8,10,12H2,1H3,(H,22,24)/p+1/t14-,15+/m1/s1