2-methoxy-6-methyl-4-oxidanyl-5-(2-phenylmethoxyethanoylamino)-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: 2-methoxy-6-methyl-4-oxidanyl-5-(2-phenylmethoxyethanoylamino)-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-[(2-benzyloxyacetyl)amino]-4-hydroxy-2-methoxy-6-methyl-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 4-hydroxy-2-methoxy-6-methyl-5-[(1-oxo-2-phenylmethoxyethyl)amino]-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 4-hydroxy-2-methoxy-6-methyl-5-[(2-phenylmethoxyacetyl)amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 5-[(2-benzoxyacetyl)amino]-4-hydroxy-2-methoxy-6-methyl-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C20H29NO10 MolecularWeight: 443.44496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(CC(O1)(C(=O)O)OC)O)NC(=O)COCC2=CC=CC=C2)C(C(CO)O)O

Isomeric SMILES

CC1(C(C(CC(O1)(C(=O)O)OC)O)NC(=O)COCC2=CC=CC=C2)C(C(CO)O)O

InChI

InChI=1S/C20H29NO10/c1-19(17(26)14(24)9-22)16(13(23)8-20(29-2,31-19)18(27)28)21-15(25)11-30-10-12-6-4-3-5-7-12/h3-7,13-14,16-17,22-24,26H,8-11H2,1-2H3,(H,21,25)(H,27,28)