STN
Summary
| Name: | 2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID |
| Formula: | C8 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 189.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[(hydroxy-methanoyl-amino)methyl]-4-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(CC(C)C)CN(O)C=O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](CN(O)C=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](CN(O)C=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@H](CN(C=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(CN(C=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO4/c1-6(2)3-7(8(11)12)4-9(13)5-10/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | LFMOJNDZFCHHPV-SSDOTTSWSA-N |
