| PDB CCD ID: | EL0 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C29 H32 Cl N5 O5 S |
| InChI: | InChI=1S/C29H32ClN5O5S/c1-17-28(18(2)40-32-17)19-8-10-24-23(14-19)31-29(35(24)21-12-13-33(16-21)41(4,37)38)25-6-5-7-27(36)34(25)20-9-11-26(39-3)22(30)15-20/h8-11,14-15,21,25H,5-7,12-13,16H2,1-4H3/t21-,25+/m1/s1 |
| InChIKey: | WMRFYICILGNXCX-BWKNWUBXSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COc1ccc(cc1Cl)N2[CH](CCCC2=O)c3nc4cc(ccc4n3[CH]5CCN(C5)[S](C)(=O)=O)c6c(C)onc6C | | OpenEye OEToolkits 2.0.7 | Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCN(C4)S(=O)(=O)C)C5CCCC(=O)N5c6ccc(c(c6)Cl)OC | | OpenEye OEToolkits 2.0.7 | Cc1c(c(on1)C)c2ccc3c(c2)nc(n3[C@@H]4CCN(C4)S(=O)(=O)C)[C@@H]5CCCC(=O)N5c6ccc(c(c6)Cl)OC | | CACTVS 3.385 | COc1ccc(cc1Cl)N2[C@@H](CCCC2=O)c3nc4cc(ccc4n3[C@@H]5CCN(C5)[S](C)(=O)=O)c6c(C)onc6C |
|
| Name: | (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one |
