methyl 2-[(2R)-3-oxidanylidene-1-[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-3-oxidanylidene-1-[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-3-oxo-1-[2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl]piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-1-[2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl]-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-3-oxo-1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-[2-keto-2-(2-thenylcarbamoylamino)ethyl]piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C15H21N4O5S+ MolecularWeight: 369.41604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC(=O)NC(=O)NCC2=CC=CS2

Isomeric SMILES

COC(=O)C[C@@H]1C(=O)NCC[NH+]1CC(=O)NC(=O)NCC2=CC=CS2

InChI

InChI=1S/C15H20N4O5S/c1-24-13(21)7-11-14(22)16-4-5-19(11)9-12(20)18-15(23)17-8-10-3-2-6-25-10/h2-3,6,11H,4-5,7-9H2,1H3,(H,16,22)(H2,17,18,20,23)/p+1/t11-/m1/s1