EUP
Summary
| Name: | 4-amino-L-allothreonine |
| Formula: | C4 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 134.134 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-L-allothreonine |
| OpenEye OEToolkits | 2.0.6 | (2~{S},3~{S})-2,4-bis(azanyl)-3-oxidanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(=O)O)C(O)CN |
| InChI | InChI | 1.03 | InChI=1S/C4H10N2O3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,5-6H2,(H,8,9)/t2-,3-/m0/s1 |
| InChIKey | InChI | 1.03 | ACWKOLUJJZRCNF-HRFVKAFMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H](O)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | NC[CH](O)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H]([C@@H](C(=O)O)N)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C(C(C(=O)O)N)O)N |
