OUD
Summary
Name: | (3~{S})-3-azanyl-4-(carboxyamino)butanoic acid |
Formula: | C5 H10 N2 O4 |
Formal charge: | 0 |
Formula weight: | 162.144 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (3~{S})-3-azanyl-4-(carboxyamino)butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C5H10N2O4/c6-3(1-4(8)9)2-7-5(10)11/h3,7H,1-2,6H2,(H,8,9)(H,10,11)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | KNPMIAWBJUCARG-VKHMYHEASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CNC(O)=O)CC(O)=O |
SMILES | CACTVS | 3.385 | N[CH](CNC(O)=O)CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H](CNC(=O)O)N)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | C(C(CNC(=O)O)N)C(=O)O |