PDB CCD ID: | KCA |
Number of entries in BioLiP: | 2 |
Chemical formula: | C22 H24 F N3 O3 |
InChI: | InChI=1S/C22H24FN3O3/c1-22(2,3)19(21(28)29-4)24-20(27)18-16-7-5-6-8-17(16)26(25-18)13-14-9-11-15(23)12-10-14/h5-12,19H,13H2,1-4H3,(H,24,27)/t19-/m1/s1 |
InChIKey: | RFCDVEHNYDVCMU-LJQANCHMSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | COC(=O)[CH](NC(=O)c1nn(Cc2ccc(F)cc2)c3ccccc13)C(C)(C)C | CACTVS 3.385 | COC(=O)[C@@H](NC(=O)c1nn(Cc2ccc(F)cc2)c3ccccc13)C(C)(C)C | OpenEye OEToolkits 2.0.6 | CC(C)(C)C(C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(cc3)F | OpenEye OEToolkits 2.0.6 | CC(C)(C)[C@@H](C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(cc3)F | ACDLabs 12.01 | N(C(C(OC)=O)C(C)(C)C)C(c2nn(Cc1ccc(cc1)F)c3c2cccc3)=O |
|
Name: | methyl N-{1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate |
ZINC: | ZINC000299817287 |