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

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C13H17N3O5/c1-3-9(2)14-13(19)15-11(17)8-21-12(18)10-6-4-5-7-16(10)20/h4-7,9H,3,8H2,1-2H3,(H2,14,15,17,19)/t9-/m0/s1