(1S,2S)-2-[[(2R)-3-(1H-imidazol-5-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[[(2R)-3-(1H-imidazol-5-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[(1R)-1-(1H-imidazol-5-ylmethyl)-2-oxido-2-oxo-ethyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[[(2R)-3-(1H-imidazol-5-yl)-1-oxido-1-oxopropan-2-yl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[(2R)-3-(1H-imidazol-5-yl)-1-oxido-1-oxopropan-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[(1R)-1-(1H-imidazol-5-ylmethyl)-2-keto-2-oxido-ethyl]carbamoyl]cyclohexanecarboxylate Formula: C14H17N3O5-2 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(CC2=CN=CN2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)N[C@H](CC2=CN=CN2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H19N3O5/c18-12(9-3-1-2-4-10(9)13(19)20)17-11(14(21)22)5-8-6-15-7-16-8/h6-7,9-11H,1-5H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/p-2/t9-,10-,11+/m0/s1