(3S)-4-methoxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butaneperoxoic acid

Systemtic Name: (3S)-4-methoxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butaneperoxoic acid Openeye Name: (3S)-3-(benzyloxycarbonylamino)-4-methoxy-4-oxo-butaneperoxoic acid CAS Name: (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butaneperoxoic acid IUPAC Name: (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butaneperoxoic acid Traditional Name: (3S)-3-(benzyloxycarbonylamino)-4-keto-4-methoxy-peroxybutyric acid Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)OO)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CC(=O)OO)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H15NO7/c1-19-12(16)10(7-11(15)21-18)14-13(17)20-8-9-5-3-2-4-6-9/h2-6,10,18H,7-8H2,1H3,(H,14,17)/t10-/m0/s1