2LI
N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
Find entries where: 2LI
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide |
| Identifiers | N-[(2S,3R)-4-[[(5S)-5-(3-tert-butylphenyl)-1,4,6,7-tetrahydroindazol-5-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxy-butan-2-yl]ethanamide |
| Formula | C29 H36 F2 N4 O2 |
| Molecular Weight | 510.619 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@]2(CCc3c(cn[nH]3)C2)c4cccc(c4)C(C)(C)C)O |
| InChI | InChI=1S/C29H36F2N4O2/c1-18(36)34-26(12-19-10-23(30)14-24(31)11-19)27(37)17-32-29(9-8-25-20(15-29)16-33-35-25)22-7-5-6-21(13-22)28(2,3)4/h5-7,10-11,13-14,16,26-27,32,37H,8-9,12,15,17H2,1-4H3,(H,33,35)(H,34,36)/t26-,27+,29-/m0/s1 |
| InChIKey | BAILJXDQIBWAPX-GKRYNVPLSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 73 |
| Chiral Atom Count | 3 |
| Bond Count | 76 |
| Aromatic Bond Count | 17 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 44537810 |
