BN1
Summary
| Name: | (S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID |
| Synonyms: | 2-ME-TET-AMPA |
| Formula: | C8 H10 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 254.203 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5-yl)isoxazol-4-yl]alanine |
| OpenEye OEToolkits | 1.5.0 | 2-amino-3-[3-hydroxy-5-(2-methyl-1,2,3,4-tetrazol-5-yl)-1,2-oxazol-4-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1nnc(n1)c2onc(O)c2CC(N)C(O)=O |
| SMILES | CACTVS | 3.341 | Cn1nnc(n1)c2onc(O)c2CC(N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17) |
| InChIKey | InChI | 1.03 | YXLQKZHKWIKJKC-UHFFFAOYSA-N |
