methyl 2-[(2S)-1-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[2-(tert-butylcarbamoylamino)-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-1-[2-(tert-butylcarbamoylamino)-2-keto-ethyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C14H25N4O5+ MolecularWeight: 329.3721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)C[NH+]1CCNC(=O)C1CC(=O)OC

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)C[NH+]1CCNC(=O)[C@@H]1CC(=O)OC

InChI

InChI=1S/C14H24N4O5/c1-14(2,3)17-13(22)16-10(19)8-18-6-5-15-12(21)9(18)7-11(20)23-4/h9H,5-8H2,1-4H3,(H,15,21)(H2,16,17,19,22)/p+1/t9-/m0/s1