N62
Summary
| Name: | ~{N}-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide |
| Formula: | C28 H24 F3 N O8 |
| Formal charge: | 0 |
| Formula weight: | 559.487 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C28H24F3NO8/c29-18-6-5-16(14-3-1-2-4-15(14)18)27(36)32-10-21-24(34)26(25(35)22(11-33)39-21)38-12-13-9-17-20(40-28(13)37)8-7-19(30)23(17)31/h1-9,21-22,24-26,33-35H,10-12H2,(H,32,36)/t21-,22+,24-,25-,26+/m0/s1 |
| InChIKey | InChI | 1.03 | MUJDRCJRZOWOHC-ZEZYLZLISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](CNC(=O)c2ccc(F)c3ccccc23)[C@H](O)[C@@H](OCC4=Cc5c(F)c(F)ccc5OC4=O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](CNC(=O)c2ccc(F)c3ccccc23)[CH](O)[CH](OCC4=Cc5c(F)c(F)ccc5OC4=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCC4=Cc5c(ccc(c5F)F)OC4=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ccc2F)C(=O)NCC3C(C(C(C(O3)CO)O)OCC4=Cc5c(ccc(c5F)F)OC4=O)O |
