1OL
Summary
| Name: | (2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid |
| Synonyms: | Leu*Ala |
| Formula: | C10 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 203.279 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid |
| OpenEye OEToolkits | 1.7.0 | (2R,4S,5S)-5-azanyl-4-hydroxy-2,7-dimethyl-octanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(C)CC(O)C(N)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N)[C@@H](O)C[C@@H](C)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](N)[CH](O)C[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(C(CC(C)C(=O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H21NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-9,12H,4-5,11H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1 |
| InChIKey | InChI | 1.03 | PUJHJAZUGUEBOU-VGMNWLOBSA-N |
