CKC
Summary
| Name: | (3S)-3,7-diaminoheptan-2-one |
| Formula: | C7 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 144.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3,7-diaminoheptan-2-one |
| OpenEye OEToolkits | 1.7.6 | (3S)-3,7-bis(azanyl)heptan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)C(N)CCCCN |
| InChI | InChI | 1.03 | InChI=1S/C7H16N2O/c1-6(10)7(9)4-2-3-5-8/h7H,2-5,8-9H2,1H3/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | FADKJNSSIWTVAI-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)[C@@H](N)CCCCN |
| SMILES | CACTVS | 3.385 | CC(=O)[CH](N)CCCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)[C@H](CCCCN)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)C(CCCCN)N |
