User: I want to come up with a molecule SMILES.
Assistant: This sounds very exciting. Should it be a special molecule?
User: Yes, the molecule can be described as:
The molecule is a branched oligosaccharide derivative consisting of nine residues corresponding to the core region of Salmonella lipopolysaccharide molecules and used as a model compound in investigations on the conjugation of the O-antigen to the CRM197 carrier protein. (It should be noted that the site and degree of phosphorylation of the Hep(III) residue are uncertain, while for the PPEtN group the percentage substitution can vary according to the strain of origin and the growth conditions.)
Assistant: Got it, this SMILES fits your description: CC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O[C@H]3[C@@H](O[C@H]4[C@H](O)[C@@H](CO[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)OC(O[C@H]5C(OP(=O)(O)O)[C@@H]([C@@H](O)COC6O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]6O)O[C@H](O[C@@H]6[C@H](O)[C@@H](O[C@H]7[C@@H]([C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]7O)O[C@H]([C@@H](O)CO)[C@H]6OP(=O)(O)OP(=O)(O)OCCN)[C@H]5O)[C@@H]4O)O[C@H](CO)[C@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
User: I want to {#come up with|create|generate!} a {#molecule |!}{SMILES__description}.
Assistant: {#This sounds very exciting. |This sounds very interesting. !}Should it be a special {#molecule|one!}?
User: Yes, the molecule can be described {#by|as!}:
{description#}
Assistant: {#Ok|Got it!},{# here you go,|!} this {SMILES__description} fits {#your|this!} description: {SMILES#}
CC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O[C@H]3[C@@H](O[C@H]4[C@H](O)[C@@H](CO[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)OC(O[C@H]5C(OP(=O)(O)O)[C@@H]([C@@H](O)COC6O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]6O)O[C@H](O[C@@H]6[C@H](O)[C@@H](O[C@H]7[C@@H]([C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]7O)O[C@H]([C@@H](O)CO)[C@H]6OP(=O)(O)OP(=O)(O)OCCN)[C@H]5O)[C@@H]4O)O[C@H](CO)[C@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
(2R,4R,5R,6R)-5-[(2S,3S,4R,5R,6R)-4-[(2R,3S,4R,6R)-4-[(3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-3-[(2R,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-[(1S)-2-[(3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3-hydroxy-5-phosphonooxyoxan-2-yl]oxy-5-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid
The molecule is a branched oligosaccharide derivative consisting of nine residues corresponding to the core region of Salmonella lipopolysaccharide molecules and used as a model compound in investigations on the conjugation of the O-antigen to the CRM197 carrier protein. (It should be noted that the site and degree of phosphorylation of the Hep(III) residue are uncertain, while for the PPEtN group the percentage substitution can vary according to the strain of origin and the growth conditions.)