(2S,3S,4S,5R,6S)-6-[1-[ethyl-(3-methylphenyl)carbonyl-amino]ethoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[1-[ethyl-(3-methylphenyl)carbonyl-amino]ethoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[1-[ethyl-(3-methylbenzoyl)amino]ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[1-[ethyl-[(3-methylphenyl)-oxomethyl]amino]ethoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[1-[ethyl-(3-methylbenzoyl)amino]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[1-[ethyl(m-toluoyl)amino]ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C18H25NO8 MolecularWeight: 383.393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)OC1C(C(C(C(O1)C(=O)O)O)O)O)C(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCN(C(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C18H25NO8/c1-4-19(16(23)11-7-5-6-9(2)8-11)10(3)26-18-14(22)12(20)13(21)15(27-18)17(24)25/h5-8,10,12-15,18,20-22H,4H2,1-3H3,(H,24,25)/t10?,12-,13-,14+,15-,18+/m0/s1