methyl (2S)-2-[(2S,6R,7S)-2-(hydroxymethyl)-7-methoxy-6-oxidanyl-1,4-oxazepan-4-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(2S,6R,7S)-2-(hydroxymethyl)-7-methoxy-6-oxidanyl-1,4-oxazepan-4-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(2S,6R,7S)-6-hydroxy-2-(hydroxymethyl)-7-methoxy-1,4-oxazepan-4-yl]-3-phenyl-propanoate CAS Name: (2S)-2-[(2S,6R,7S)-6-hydroxy-2-(hydroxymethyl)-7-methoxy-1,4-oxazepan-4-yl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2S,6R,7S)-6-hydroxy-2-(hydroxymethyl)-7-methoxy-1,4-oxazepan-4-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[(2S,6R,7S)-6-hydroxy-7-methoxy-2-methylol-1,4-oxazepan-4-yl]-3-phenyl-propionic acid methyl ester Formula: C17H25NO6 MolecularWeight: 339.3835

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(CN(CC(O1)CO)C(CC2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

CO[C@@H]1[C@@H](CN(C[C@H](O1)CO)[C@@H](CC2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C17H25NO6/c1-22-16(21)14(8-12-6-4-3-5-7-12)18-9-13(11-19)24-17(23-2)15(20)10-18/h3-7,13-15,17,19-20H,8-11H2,1-2H3/t13-,14-,15+,17-/m0/s1