0XQ
Summary
| Name: | (2R)-2,8-diamino-2-methyloctanoic acid |
| Formula: | C9 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 188.267 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2,8-diamino-2-methyloctanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2R)-2,8-bis(azanyl)-2-methyl-octanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)(CCCCCCN)C |
| InChI | InChI | 1.03 | InChI=1S/C9H20N2O2/c1-9(11,8(12)13)6-4-2-3-5-7-10/h2-7,10-11H2,1H3,(H,12,13)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | ZSOMLUKLVIXWFO-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@](N)(CCCCCCN)C(O)=O |
| SMILES | CACTVS | 3.370 | C[C](N)(CCCCCCN)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@](CCCCCCN)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CCCCCCN)(C(=O)O)N |
