| PDB CCD ID: | J22 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C27 H34 N4 O3 S |
| InChI: | InChI=1S/C27H34N4O3S/c1-19-7-6-8-23(20(19)2)21-9-11-22(12-10-21)26-24-17-30(14-4-5-15-31(24)25(26)18-32)35(33,34)27-28-13-16-29(27)3/h6-13,16,24-26,32H,4-5,14-15,17-18H2,1-3H3/t24-,25+,26-/m0/s1 |
| InChIKey: | OJXBQVFJQWLDCX-NXCFDTQHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | Cc1cccc(c1C)c2ccc(cc2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)c5nccn5C | | OpenEye OEToolkits 2.0.6 | Cc1cccc(c1C)c2ccc(cc2)C3C4CN(CCCCN4C3CO)S(=O)(=O)c5nccn5C | | CACTVS 3.385 | Cn1ccnc1[S](=O)(=O)N2CCCCN3[CH](CO)[CH]([CH]3C2)c4ccc(cc4)c5cccc(C)c5C | | CACTVS 3.385 | Cn1ccnc1[S](=O)(=O)N2CCCCN3[C@H](CO)[C@H]([C@@H]3C2)c4ccc(cc4)c5cccc(C)c5C | | ACDLabs 12.01 | c5(S(N1CC2N(CCCC1)C(CO)C2c4ccc(c3c(c(C)ccc3)C)cc4)(=O)=O)nccn5C |
|
| Name: | {(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol |
