M1C
Summary
| Name: | (3S)-3-AMINO-1-(CYCLOPROPYLAMINO)HEPTANE-2,2-DIOL |
| Formula: | C10 H22 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 202.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-amino-1-(cyclopropylamino)heptane-2,2-diol |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-amino-1-(cyclopropylamino)heptane-2,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC(O)(C(N)CCCC)CNC1CC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC[C@H](N)C(O)(O)CNC1CC1 |
| SMILES | CACTVS | 3.341 | CCCC[CH](N)C(O)(O)CNC1CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC[C@@H](C(CNC1CC1)(O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC(C(CNC1CC1)(O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H22N2O2/c1-2-3-4-9(11)10(13,14)7-12-8-5-6-8/h8-9,12-14H,2-7,11H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | AYBDGNNJGBFOBQ-VIFPVBQESA-N |
