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

Systemtic Name: methyl (2R)-2-[[(2S)-4-piperidin-1-ium-4-ylcarbonyl-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-4-(piperidin-1-ium-4-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[oxo-[(2S)-4-[oxo(4-piperidin-1-iumyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-4-(piperidin-1-ium-4-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-4-(piperidin-1-ium-4-carbonyl)-1-(2-thenoyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C20H29N4O5S+ MolecularWeight: 437.53306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3CC[NH2+]CC3

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3CC[NH2+]CC3

InChI

InChI=1S/C20H28N4O5S/c1-13(20(28)29-2)22-17(25)15-12-23(18(26)14-5-7-21-8-6-14)9-10-24(15)19(27)16-4-3-11-30-16/h3-4,11,13-15,21H,5-10,12H2,1-2H3,(H,22,25)/p+1/t13-,15+/m1/s1