| PDB CCD ID: | YGT |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C34 H50 N4 O4 |
| InChI: | InChI=1S/C34H50N4O4/c39-33(35-29-11-3-1-4-12-29)41-23-31-19-25-15-17-37(31)21-27(25)9-7-8-10-28-22-38-18-16-26(28)20-32(38)24-42-34(40)36-30-13-5-2-6-14-30/h25-32H,1-6,11-24H2,(H,35,39)(H,36,40)/t25-,26+,27-,28+,31-,32-/m1/s1 |
| InChIKey: | AMBLGDNBWGSPMN-PWUUJYBQSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(NC1CCCCC1)OCC1CC2CCN1CC2C#CC#CC1CN2CCC1CC2COC(=O)NC1CCCCC1 | | OpenEye OEToolkits 2.0.7 | C1CCC(CC1)NC(=O)OCC2CC3CCN2CC3C#CC#CC4CN5CCC4CC5COC(=O)NC6CCCCC6 | | CACTVS 3.385 | O=C(NC1CCCCC1)OC[CH]2C[CH]3CC[N]2C[CH]3C#CC#C[CH]4C[N]5CC[CH]4C[CH]5COC(=O)NC6CCCCC6 | | OpenEye OEToolkits 2.0.7 | C1CCC(CC1)NC(=O)OC[C@H]2C[C@H]3CC[N@@]2C[C@H]3C#CC#C[C@H]4CN5CC[C@H]4CC5COC(=O)NC6CCCCC6 | | CACTVS 3.385 | O=C(NC1CCCCC1)OC[C@H]2C[C@@H]3CC[N@]2C[C@@H]3C#CC#C[C@@H]4C[N@]5CC[C@@H]4C[C@@H]5COC(=O)NC6CCCCC6 |
|
| Name: | (R)-(cyclohexylamino){3-[(3R,4R)-3-{4-[(1R,3R,4R,6R)-6-{[(R)-(cyclohexylamino)(hydroxy)methoxy]methyl}-1-azabicyclo[2.2.2]octan-3-yl]butyl}piperidin-4-yl]propoxy}methanol |
