32L
Summary
| Name: | ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate |
| Formula: | C10 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 203.279 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate |
| OpenEye OEToolkits | 1.7.6 | ethyl (3S,4S)-4-azanyl-6-methyl-3-oxidanyl-heptanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)CC(O)C(N)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H21NO3/c1-4-14-10(13)6-9(12)8(11)5-7(2)3/h7-9,12H,4-6,11H2,1-3H3/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | WHQQUBMCFYWHIS-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C[C@H](O)[C@@H](N)CC(C)C |
| SMILES | CACTVS | 3.385 | CCOC(=O)C[CH](O)[CH](N)CC(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)C[C@@H]([C@H](CC(C)C)N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)CC(C(CC(C)C)N)O |
