(1S,2S)-2-[[(2R)-3-(4-hydroxyphenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[[(2R)-3-(4-hydroxyphenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[(1R)-1-[(4-hydroxyphenyl)methyl]-2-oxido-2-oxo-ethyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[[(2R)-3-(4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[(2R)-3-(4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[(1R)-1-(4-hydroxybenzyl)-2-keto-2-oxido-ethyl]carbamoyl]cyclohexanecarboxylate Formula: C17H19NO6-2 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)N[C@H](CC2=CC=C(C=C2)O)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H21NO6/c19-11-7-5-10(6-8-11)9-14(17(23)24)18-15(20)12-3-1-2-4-13(12)16(21)22/h5-8,12-14,19H,1-4,9H2,(H,18,20)(H,21,22)(H,23,24)/p-2/t12-,13-,14+/m0/s1