2LS
Summary
| Name: | (1R,2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol |
| Formula: | C9 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 173.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol |
| OpenEye OEToolkits | 1.7.6 | (1R,2S)-2-azanyl-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C(N)CC(C)C)C1(OC1)C |
| InChI | InChI | 1.03 | InChI=1S/C9H19NO2/c1-6(2)4-7(10)8(11)9(3)5-12-9/h6-8,11H,4-5,10H2,1-3H3/t7-,8+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | BVRWKLDQTWQJLD-DJLDLDEBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](N)[C@@H](O)[C@@]1(C)CO1 |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](N)[CH](O)[C]1(C)CO1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C(C1(CO1)C)O)N |
