L4C
Summary
| Name: | (2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID |
| Synonyms: | LACTIVICIN |
| Formula: | C10 H14 N2 O8 |
| Formal charge: | 0 |
| Formula weight: | 290.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-2-{[(2S)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid |
| OpenEye OEToolkits | 1.5.0 | (2E)-2-[(2S)-2-acetamido-3-hydroxy-3-oxo-propoxy]iminopentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)\C(=N\OCC(NC(=O)C)C(=O)O)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H](CO\N=C(/CCC(O)=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH](CON=C(CCC(O)=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC(CON=C(CCC(=O)O)C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O8/c1-5(13)11-7(10(18)19)4-20-12-6(9(16)17)2-3-8(14)15/h7H,2-4H2,1H3,(H,11,13)(H,14,15)(H,16,17)(H,18,19)/b12-6+/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | ULEFFWARYSNNRF-NYYVKIQXSA-N |
