5-(oxan-2-yloxymethyl)-3-(3-oxidanyl-3-oxidanylidene-2-phenylmethoxy-propanoyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

Systemtic Name: 5-(oxan-2-yloxymethyl)-3-(3-oxidanyl-3-oxidanylidene-2-phenylmethoxy-propanoyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid Openeye Name: 3-(2-benzyloxy-3-hydroxy-3-oxo-propanoyl)-5-(tetrahydropyran-2-yloxymethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid CAS Name: 3-(3-hydroxy-1,3-dioxo-2-phenylmethoxypropyl)-5-(2-oxanyloxymethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid IUPAC Name: 3-(3-hydroxy-3-oxo-2-phenylmethoxypropanoyl)-5-(oxan-2-yloxymethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid Traditional Name: 3-(2-benzoxy-3-hydroxy-3-keto-propanoyl)-5-(tetrahydropyran-2-yloxymethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid Formula: C22H27NO8 MolecularWeight: 433.45168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC23CN(CC2C3C(=O)O)C(=O)C(C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)OCC23CN(CC2C3C(=O)O)C(=O)C(C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H27NO8/c24-19(18(21(27)28)30-11-14-6-2-1-3-7-14)23-10-15-17(20(25)26)22(15,12-23)13-31-16-8-4-5-9-29-16/h1-3,6-7,15-18H,4-5,8-13H2,(H,25,26)(H,27,28)