| PDB CCD ID: | T76 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C25 H33 Cl N4 O5 |
| InChI: | InChI=1S/C25H33ClN4O5/c26-18-8-9-20-17(13-18)14-28-24(33)19-7-4-12-30(19)25(34)23(16-5-2-1-3-6-16)29-21(31)10-11-27-22(32)15-35-20/h8-9,13,16,19,23H,1-7,10-12,14-15H2,(H,27,32)(H,28,33)(H,29,31)/t19-,23+/m0/s1 |
| InChIKey: | CNGULIMOMYJRBP-WMZHIEFXSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1cc2c(cc1Cl)CNC(=O)C3CCCN3C(=O)C(NC(=O)CCNC(=O)CO2)C4CCCCC4 | | CACTVS 3.341 | Clc1ccc2OCC(=O)NCCC(=O)N[CH](C3CCCCC3)C(=O)N4CCC[CH]4C(=O)NCc2c1 | | CACTVS 3.341 | Clc1ccc2OCC(=O)NCCC(=O)N[C@H](C3CCCCC3)C(=O)N4CCC[C@H]4C(=O)NCc2c1 | | OpenEye OEToolkits 1.5.0 | c1cc2c(cc1Cl)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)CCNC(=O)CO2)C4CCCCC4 | | ACDLabs 10.04 | Clc4cc1c(OCC(=O)NCCC(=O)NC(C(=O)N2C(C(=O)NC1)CCC2)C3CCCCC3)cc4 |
|
| Name: | (6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE |
| ChEMBL: | CHEMBL1236167 |
| ZINC: | ZINC000013537324 |
