2UZ
Summary
| Name: | (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| Synonyms: | (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrolyzed form |
| Formula: | C7 H10 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 218.23 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C1SCC=C(C(=O)O)N1 |
| InChI | InChI | 1.03 | InChI=1S/C7H10N2O4S/c8-4(7(12)13)5-9-3(6(10)11)1-2-14-5/h1,4-5,9H,2,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | ILCKCFSUIJSDAX-CRCLSJGQSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H]([C@@H]1NC(=CCS1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH]([CH]1NC(=CCS1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1C=C(NC(S1)C(C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C=C(NC(S1)C(C(=O)O)N)C(=O)O |
