VJT
Summary
| Name: | (2-(4-(beta-L-fucopyranosylethynyl)phenyl)-2-methylpropan-1-amine |
| Synonyms: | (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 |
| Formula: | C18 H25 N O4 |
| Formal charge: | 0 |
| Formula weight: | 319.395 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (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 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | OLKQUCDVBRXNDQ-WVRYCFJFSA-N |
| SMILES_CANONICAL | 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 |
| SMILES | CACTVS | 3.385 | C[CH]1O[CH](C#Cc2ccc(cc2)C(C)(C)CN)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | 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 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(C(C(C(O1)C#Cc2ccc(cc2)C(C)(C)CN)O)O)O |
