| PDB CCD ID: | Z89 |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C15 H9 Br N2 O6 S2 |
| InChI: | InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-/t8-/m1/s1 |
| InChIKey: | QGNRETMYLHRUBB-OZEWEUHLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | c1cc2c(cc1Br)C(=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O)C(=O)N2 | | OpenEye OEToolkits 1.7.0 | c1cc2c(cc1Br)/C(=C/3\C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=O)N2 | | CACTVS 3.352 | OC(=O)C[C@@H](N1C(=S)SC(/C1=O)=C/2C(=O)Nc3ccc(Br)cc/23)C(O)=O | | CACTVS 3.352 | OC(=O)C[CH](N1C(=S)SC(C1=O)=C2C(=O)Nc3ccc(Br)cc23)C(O)=O |
|
| Name: | (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid;
N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE |
| ZINC: | ZINC000003077615 |
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