STA
Summary
| Name: | STATINE |
| Formula: | C8 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 175.225 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid |
| OpenEye OEToolkits | 1.7.0 | (3S,4S)-4-azanyl-3-hydroxy-6-methyl-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(O)C(N)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N)[C@@H](O)CC(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](N)[CH](O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@@H]([C@H](CC(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(C(CC(=O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H17NO3/c1-5(2)3-6(9)7(10)4-8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | DFVFTMTWCUHJBL-BQBZGAKWSA-N |
