ERE
Summary
| Name: | 4-epi-vancosamine |
| Synonyms: | (1R,3S,4R,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose |
| Formula: | C7 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 161.199 Da |
| Component type: | L-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose |
| OpenEye OEToolkits | 1.7.6 | (2R,4S,5R,6S)-4-azanyl-4,6-dimethyl-oxane-2,5-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1OC(C(O)C(N)(C)C1)C |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO3/c1-4-6(10)7(2,8)3-5(9)11-4/h4-6,9-10H,3,8H2,1-2H3/t4-,5+,6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | OIJZDPGKNVKVBL-VZFHVOOUSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H]1O[C@@H](O)C[C@](C)(N)[C@H]1O |
| SMILES | CACTVS | 3.370 | C[CH]1O[CH](O)C[C](C)(N)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1[C@@H]([C@@](C[C@@H](O1)O)(C)N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(C(CC(O1)O)(C)N)O |
