H62
Summary
Name: | (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid |
Formula: | C7 H13 N O5 |
Formal charge: | 0 |
Formula weight: | 191.182 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C7H13NO5/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h2-6,9-11H,1,8H2,(H,12,13)/t2-,3-,4+,5+,6+/m0/s1 |
InChIKey | InChI | 1.03 | DNFVBIRHFDBCAW-HGVZOGFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1C(O)=O |
SMILES | CACTVS | 3.385 | N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(C(C(C1O)O)O)C(=O)O)N |