4-[[(2R)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]butanoic acid

Systemtic Name: 4-[[(2R)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]butanoic acid Openeye Name: 4-[[(2R)-2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butanoyl]amino]butanoic acid CAS Name: 4-[[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butyl]amino]butanoic acid IUPAC Name: 4-[[(2R)-2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]amino]butanoic acid Traditional Name: 4-[[(2R)-2-hydroxy-3,3-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-butanoyl]amino]butyric acid Formula: C16H29NO10 MolecularWeight: 395.40216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1C(C(C(C(O1)CO)O)O)O)C(C(=O)NCCCC(=O)O)O

Isomeric SMILES

CC(C)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](C(=O)NCCCC(=O)O)O

InChI

InChI=1S/C16H29NO10/c1-16(2,13(24)14(25)17-5-3-4-9(19)20)7-26-15-12(23)11(22)10(21)8(6-18)27-15/h8,10-13,15,18,21-24H,3-7H2,1-2H3,(H,17,25)(H,19,20)/t8-,10-,11+,12-,13+,15-/m1/s1