(1S,2S)-2-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[[(1R)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[[(1R)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]cyclohexanecarboxylic acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c19-15(12-8-4-5-9-13(12)16(20)21)18-14(17(22)23)10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2,(H,18,19)(H,20,21)(H,22,23)/t12-,13-,14+/m0/s1