| PDB CCD ID: | VJT |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H25 N O4 |
| InChI: | InChI=1S/C18H25NO4/c1-11-15(20)17(22)16(21)14(23-11)9-6-12-4-7-13(8-5-12)18(2,3)10-19/h4-5,7-8,11,14-17,20-22H,10,19H2,1-3H3/t11-,14+,15+,16+,17+/m0/s1 |
| InChIKey: | OLKQUCDVBRXNDQ-WVRYCFJFSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C#Cc2ccc(cc2)C(C)(C)CN)O)O)O | | CACTVS 3.385 | C[C@@H]1O[C@H](C#Cc2ccc(cc2)C(C)(C)CN)[C@@H](O)[C@H](O)[C@@H]1O | | OpenEye OEToolkits 2.0.7 | CC1C(C(C(C(O1)C#Cc2ccc(cc2)C(C)(C)CN)O)O)O | | CACTVS 3.385 | C[CH]1O[CH](C#Cc2ccc(cc2)C(C)(C)CN)[CH](O)[CH](O)[CH]1O |
|
| Name: | (2-(4-(beta-L-fucopyranosylethynyl)phenyl)-2-methylpropan-1-amine;
(2~{R},3~{S},4~{R},5~{S},6~{S})-2-[2-[4-(1-azanyl-2-methyl-propan-2-yl)phenyl]ethynyl]-6-methyl-oxane-3,4,5-triol |
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