API
Summary
| Name: | 2,6-DIAMINOPIMELIC ACID |
| Formula: | C7 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 190.197 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,6S)-2,6-diaminoheptanedioic acid |
| OpenEye OEToolkits | 1.7.2 | (2S,6R)-2,6-bis(azanyl)heptanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+ |
| InChIKey | InChI | 1.03 | GMKMEZVLHJARHF-SYDPRGILSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCC[C@@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCC[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(CC(C(=O)O)N)CC(C(=O)O)N |
