2R1
Summary
| Name: | (2E)-2-amino-4-hydroxy-3-[(2R)-oxiran-2-yl]but-2-enoic acid |
| Formula: | C6 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 159.14 Da |
| Component type: | PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-2-amino-4-hydroxy-3-[(2R)-oxiran-2-yl]but-2-enoic acid |
| OpenEye OEToolkits | 1.7.6 | (E)-2-azanyl-4-oxidanyl-3-[(2R)-oxiran-2-yl]but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)/C(N)=C(/CO)C1OC1 |
| InChI | InChI | 1.03 | InChI=1S/C6H9NO4/c7-5(6(9)10)3(1-8)4-2-11-4/h4,8H,1-2,7H2,(H,9,10)/b5-3+/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | YMRVZAJPNVCTTL-MXFQXMHVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N\C(C(O)=O)=C(CO)\[C@@H]1CO1 |
| SMILES | CACTVS | 3.385 | NC(C(O)=O)=C(CO)[CH]1CO1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H](O1)/C(=C(\C(=O)O)/N)/CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(O1)C(=C(C(=O)O)N)CO |
