1E3
Summary
| Name: | (2S)-2,9-diaminononanoic acid |
| Formula: | C9 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 188.267 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,9-diaminononanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2,9-bis(azanyl)nonanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCCCCCN |
| InChI | InChI | 1.03 | InChI=1S/C9H20N2O2/c10-7-5-3-1-2-4-6-8(11)9(12)13/h8H,1-7,10-11H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | KEBGMMXWUKWKGB-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCCCCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | NCCCCCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CCC[C@@H](C(=O)O)N)CCCN |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CCCC(C(=O)O)N)CCCN |
