ethyl 4-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H27N4O4+ MolecularWeight: 315.38858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)C(=O)OCC

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)C[NH+]1CCN(CC1)C(=O)OCC

InChI

InChI=1S/C14H26N4O4/c1-4-11(3)15-13(20)16-12(19)10-17-6-8-18(9-7-17)14(21)22-5-2/h11H,4-10H2,1-3H3,(H2,15,16,19,20)/p+1/t11-/m0/s1