X9D
4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
Find entries where: X9D
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate |
Identifiers | 2-methyl-4-[(~{E})-[(2~{S})-1-oxidanyl-1-oxidanylidene-3-[(3~{R})-3-oxidanyl-2-oxidanylidene-1~{H}-indol-3-yl]propan-2-yl]azaniumylidenemethyl]-5-(phosphonooxymethyl)pyridin-1-ium-3-olate |
Formula | C19 H20 N3 O9 P |
Molecular Weight | 465.351 |
Type | NON-POLYMER |
Isomeric SMILES | Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C@@-](C[C@]2(c3ccccc3NC2=O)O)C(=O)O)[O-] |
InChI | InChI=1S/C19H20N3O9P/c1-10-16(23)12(11(7-20-10)9-31-32(28,29)30)8-21-15(17(24)25)6-19(27)13-4-2-3-5-14(13)22-18(19)26/h2-5,7-8,21,23,27H,6,9H2,1H3,(H,22,26)(H,24,25)(H2,28,29,30)/b21-8+/t19-/m1/s1 |
InChIKey | KVWUPOTUZSGNFK-JWWNMXMMSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 52 |
Chiral Atom Count | 2 |
Bond Count | 54 |
Aromatic Bond Count | 12 |