| PDB CCD ID: | T82 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C16 H15 Br Cl N3 O2 |
| InChI: | InChI=1S/C16H15BrClN3O2/c17-14-6-10(4-5-15(14)22)9-20-21-16(23)13(8-19)11-2-1-3-12(18)7-11/h1-7,9,13,22H,8,19H2,(H,21,23)/b20-9+/t13-/m1/s1 |
| InChIKey: | NCMIGNFSEKGWIC-PCQWDSEFSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | NC[CH](C(=O)NN=Cc1ccc(O)c(Br)c1)c2cccc(Cl)c2 | | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)Cl)C(CN)C(=O)NN=Cc2ccc(c(c2)Br)O | | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)Cl)[C@@H](CN)C(=O)N/N=C/c2ccc(c(c2)Br)O | | CACTVS 3.385 | NC[C@@H](C(=O)N\N=C\c1ccc(O)c(Br)c1)c2cccc(Cl)c2 |
|
| Name: | (S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium;
(2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide |
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