OWF
Summary
| Name: | (3S)-3-hydroxy-D-asparagine |
| Formula: | C4 H8 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 148.117 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-hydroxy-D-asparagine |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S})-2,4-bis(azanyl)-3-oxidanyl-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(=O)C(O)C(N)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2+/m1/s1 |
| InChIKey | InChI | 1.03 | VQTLPSCRBFYDNX-NCGGTJAESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]([C@H](O)C(N)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]([CH](O)C(N)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [C@@H]([C@@H](C(=O)N)O)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(C(=O)N)O)(C(=O)O)N |
