PVI
Summary
| Name: | (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid |
| Synonyms: | (4~{R},5~{R})-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid |
| Formula: | C7 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 173.167 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R},5~{R})-3-azanyl-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/t4-,5+,6+/m0/s1 |
| InChIKey | InChI | 1.06 | WPZSUTUAATWRPU-KVQBGUIXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1C=C(C[C@@H](O)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]1C=C(C[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H]([C@@H](C(C=C1C(=O)O)N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C=C1C(=O)O)N)O)O |
