| PDB CCD ID: | FI1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C28 H29 Cl N4 O5 S |
| InChI: | InChI=1S/C28H29ClN4O5S/c29-22-8-6-20-13-23(9-7-19(20)12-22)39(37,38)30-24-3-2-10-31(28(24)36)17-27(35)32-14-18-11-21(16-32)25-4-1-5-26(34)33(25)15-18/h1,4-9,12-13,18,21,24,30H,2-3,10-11,14-17H2/t18-,21+,24-/m0/s1 |
| InChIKey: | FLGSVBQCPOVGER-VNZMSGEBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC3CCCN(C3=O)CC(=O)N4CC5CC(C4)C6=CC=CC(=O)N6C5 | | CACTVS 3.370 | Clc1ccc2cc(ccc2c1)[S](=O)(=O)N[CH]3CCCN(CC(=O)N4C[CH]5C[CH](C4)C6=CC=CC(=O)N6C5)C3=O | | ACDLabs 12.01 | Clc2ccc1cc(ccc1c2)S(=O)(=O)NC3C(=O)N(CCC3)CC(=O)N6CC5CN4C(=O)C=CC=C4C(C5)C6 | | OpenEye OEToolkits 1.7.2 | c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN(C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5 | | CACTVS 3.370 | Clc1ccc2cc(ccc2c1)[S](=O)(=O)N[C@H]3CCCN(CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5)C3=O |
|
| Name: | 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide |
| ChEMBL: | CHEMBL1923468 |
| ZINC: | ZINC000073196564 |
