NEB
Summary
| Name: | 2-DEOXY-D-STREPTAMINE |
| Formula: | C6 H15 N2 O3 |
| Formal charge: | 1 |
| Formula weight: | 163.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,2S,3R,4R,5S)-5-amino-2,3,4-trihydroxycyclohexanaminium |
| OpenEye OEToolkits | 1.5.0 | [(1R,2S,3S,4R,5S)-5-amino-2,3,4-trihydroxy-cyclohexyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(N)CC(C(O)C1O)[NH3+] |
| InChI | InChI | 1.03 | InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+1/t2-,3+,4+,5-,6- |
| InChIKey | InChI | 1.03 | DTFAJAKTSMLKAT-JDCCYXBGSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | N[CH]1C[CH]([NH3+])[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O)O)O)[NH3+] |
| SMILES | OpenEye OEToolkits | 1.7.5 | C1C(C(C(C(C1N)O)O)O)[NH3+] |
