Ingvar Lagerstedt

Chemdraw roundtrips to tert-butyl (S)-5-(lambda^1-azaneyl)-2-(4-nitro-1-oxoisoindolin-2-yl)-5-oxopentanoate which is better than what I came up with above. After stripping out the lambda^1, Opsin is happy.

O-(1-Methyl-2-methoxycarbonylvinyl) 4-Bromophenylthionophosphonic monochloride is another example where I get confused, I thought the O- should indicate that there is a P-ester, but I get a trivalent Cl CC(=CC(=O)OC)[ClH]P(O)(=O)C1=CC=C(C=C1)Br I was...

Another example - this one ChemDraw gets what I expect: phenyl (benzyloxy-glycinyl)-phosphorochloridate Opsin gives: C(C1=CC=CC=C1)ONCC(=O)[ClH]P(OC1=CC=CC=C1)([O-])=O ChemDraw: O=P(OC1=CC=CC=C1)(Cl)OC(CNOCC2=CC=CC=C2)=O

Thanks Daniel. Yes, obviously meant the sulfur analog. So, in phenyl (benzyloxy-glycinyl)-phosphorochloridate there is a bonus '-', as that should be rather rare I can add it to one of...

Markup updated the SMILES, should be ```C(C1=CC=CC=C1)ON[C@H](C)C(=O)[ClH]P(OC1=CC=CC=C1)([O-])=O``` ```C[C@H](C(OP(OC1=CC=CC=C1)(Cl)=O)=O)NOCC2=CC=CC=C2```

Same issue for the related 7-deazaguanine Opsin gives: N1C(N)=NC=2N=CCC2C1=O expected: N1C(N)=NC=2NC=CC2C1=O

OK - that works fine, allowing 3H in either place would be useful. Same issue for oxazolin-2-one which would usually be 4-oxazolin-2-one