2-[5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl]oxypropanoic acid

Systemtic Name: 2-[5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl]oxypropanoic acid Openeye Name: 2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoic acid CAS Name: 2-[[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxy-4-oxanyl]oxy]propanoic acid IUPAC Name: 2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoic acid Traditional Name: 2-(3-acetamido-2-benzoxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl)oxypropionic acid Formula: C18H25NO8 MolecularWeight: 383.393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1C(C(OC(C1O)CO)OCC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC(C(=O)O)OC1C(C(OC(C1O)CO)OCC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C18H25NO8/c1-10(17(23)24)26-16-14(19-11(2)21)18(27-13(8-20)15(16)22)25-9-12-6-4-3-5-7-12/h3-7,10,13-16,18,20,22H,8-9H2,1-2H3,(H,19,21)(H,23,24)