| PDB CCD ID: | 6U9 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H26 N2 O7 |
| InChI: | InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3/t19-/m0/s1 |
| InChIKey: | UIAGMCDKSXEBJQ-IBGZPJMESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COCCOC(=O)C1=C(C)NC(=C([C@H]1c2cccc(c2)[N+]([O-])=O)C(=O)OC(C)C)C | | OpenEye OEToolkits 2.0.5 | CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC | | OpenEye OEToolkits 2.0.5 | CC1=C([C@@H](C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC | | CACTVS 3.385 | COCCOC(=O)C1=C(C)NC(=C([CH]1c2cccc(c2)[N+]([O-])=O)C(=O)OC(C)C)C |
|
| Name: | nimodipine;
~{O}3-(2-methoxyethyl) ~{O}5-propan-2-yl (4~{S})-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| ChEMBL: | CHEMBL255033 |
| ZINC: | ZINC000019632718 |
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