MP9
Summary
| Name: | 2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID |
| Synonyms: | 3-[5-(2-BENZYL-2H-TETRAZOL-5-YL)-3-HYDROXYISOXAZOL-4-YL]-L-ALANINE 2-BN-TET-AMPA |
| Formula: | C14 H14 N6 O4 |
| Formal charge: | 0 |
| Formula weight: | 330.299 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[5-(2-benzyl-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl]-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-[3-hydroxy-5-[2-(phenylmethyl)-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)Cc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1c(O)noc1c2nnn(Cc3ccccc3)n2)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1c(O)noc1c2nnn(Cc3ccccc3)n2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Cn2nc(nn2)c3c(c(no3)O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C14H14N6O4/c15-10(14(22)23)6-9-11(24-18-13(9)21)12-16-19-20(17-12)7-8-4-2-1-3-5-8/h1-5,10H,6-7,15H2,(H,18,21)(H,22,23)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ZNMNDDBPIVAUGG-JTQLQIEISA-N |
