B3K
Summary
| Name: | (3S)-3,7-DIAMINOHEPTANOIC ACID |
| Formula: | C7 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 160.214 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3,7-diaminoheptanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3S)-3,7-diaminoheptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(N)CCCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCCC[C@H](N)CC(O)=O |
| SMILES | CACTVS | 3.341 | NCCCC[CH](N)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCN)C[C@@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCN)CC(CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | PJDINCOFOROBQW-LURJTMIESA-N |
