Compound MYL
Identifiers
- Canonical SMILES:
CO[C@@H]1[C@H]2OCO[C@@H](NC(=O)[C@@H](O)[C@]3(CC(=C)[C@@H](C)[C@@H](C)O3)OC)[C@H]2O[C@H](C[C@H](O)CO)C1(C)C
- IUPAC name:
(2S)-N-{(4R,4aS,6R,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylidenetetrahydro-2H-pyran-2-yl]ethanamide (non-preferred name) - InChi:
InChI=1S/C24H41NO10/c1-12-9-24(31-7,35-14(3)13(12)2)19(28)21(29)25-22-18-17(32-11-33-22)20(30-6)23(4,5)16(34-18)8-15(27)10-26/h13-20,22,26-28H,1,8-11H2,2-7H3,(H,25,29)/t13-,14-,15+,16-,17+,18+,19-,20-,22-,24-/m1/s1
- InChiKey:
IJASURGZDJYQGF-RXLGVIKCSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
44583760
CHEMBL497719
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 3i55 | July 3, 2009 | Gürel Güliz, Blaha Gregor, Steitz Thomas A., Moore Peter B.. . Structures of Triacetyloleandomycin and Mycalamide A Bind to the Large Ribosomal Subunit of Haloarcula marismortui Antimicrobial Agents and Chemotherapy |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 503.27 g/mol | |||
| HBA | 10 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | 0.06 | |||
| TPSA | 145.17 | |||
| RB | 8 |