3-[(2S,5R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[(2S,5R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropanoic acid Openeye Name: 3-[(2S,5R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanylpropanoic acid CAS Name: 3-[[(2S,5R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]propanoic acid IUPAC Name: 3-[(2S,5R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[(2S,5R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]propionic acid Formula: C17H25NO10S MolecularWeight: 435.4461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1SCCC(=O)O)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1[C@@H](OC([C@@H](C1OC(=O)C)OC(=O)C)COC(=O)C)SCCC(=O)O

InChI

InChI=1S/C17H25NO10S/c1-8(19)18-14-16(27-11(4)22)15(26-10(3)21)12(7-25-9(2)20)28-17(14)29-6-5-13(23)24/h12,14-17H,5-7H2,1-4H3,(H,18,19)(H,23,24)/t12?,14?,15-,16?,17-/m0/s1