Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L2HN4I
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| Ligand Name |
1-[[(2~{r},5~{r})-1-[2-[3,3-Dimethyl-6-(Phenylmethyl)-2~{h}-Pyrrolo[3,2-B]pyridin-1-Yl]-2-Oxidanylidene-Ethyl]-5-Methyl-Piperazin-4-Ium-2-Yl]methyl]pyrrolidin-2-One
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| Synonyms |
1-[[(2~{r},5~{r})-1-[2-[3,3-Dimethyl-6-(Phenylmethyl)-2~{h}-Pyrrolo[3,2-B]pyridin-1-Yl]-2-Oxidanylidene-Ethyl]-5-Methyl-Piperazin-4-Ium-2-Yl]methyl]pyrrolidin-2-One; 7H8
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| Structure |
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Download2D MOL |
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| Formula |
C28H38N5O2+
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| Canonical SMILES |
CC1CN(C(C[NH2+]1)CN2CCCC2=O)CC(=O)N3CC(C4=C3C=C(C=N4)CC5=CC=CC=C5)(C)C
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| InChI |
1S/C28H37N5O2/c1-20-16-32(23(15-29-20)17-31-11-7-10-25(31)34)18-26(35)33-19-28(2,3)27-24(33)13-22(14-30-27)12-21-8-5-4-6-9-21/h4-6,8-9,13-14,20,23,29H,7,10-12,15-19H2,1-3H3/p+1/t20-,23-/m1/s1
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| InChIKey |
ALAFRPAHGDJVFE-NFBKMPQASA-O
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| PubChem Compound ID | ||||
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