17U
Summary
| Name: | (3S,4S)-4-amino-2,6-dimethylhept-1-en-3-ol |
| Formula: | C9 H19 N O |
| Formal charge: | 0 |
| Formula weight: | 157.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,4S)-4-amino-2,6-dimethylhept-1-en-3-ol |
| OpenEye OEToolkits | 1.7.6 | (3S,4S)-4-azanyl-2,6-dimethyl-hept-1-en-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C(=C)\C)C(N)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H19NO/c1-6(2)5-8(10)9(11)7(3)4/h6,8-9,11H,3,5,10H2,1-2,4H3/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | OCYCPKJWRSNASS-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N)[C@@H](O)C(C)=C |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](N)[CH](O)C(C)=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H]([C@H](C(=C)C)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C(C(=C)C)O)N |
