JGO
Summary
| Name: | meso-2,6-diaminopimelic acid NH2 |
| Synonyms: | (2S,6R)-2,6,7-tris(azanyl)-7-oxidanylidene-heptanoic acid (2S,6R)-2,6,7-triamino-7-oxoheptanoic acid |
| Formula: | C7 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 189.212 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},6~{R})-2,6,7-tris(azanyl)-7-oxidanylidene-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H15N3O3/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H2,10,11)(H,12,13)/t4-,5+/m1/s1 |
| InChIKey | InChI | 1.06 | FNJZWXAALSPDGJ-UHNVWZDZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CCC[C@H](N)C(O)=O)C(N)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCC[CH](N)C(O)=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(C[C@H](C(=O)N)N)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC(C(=O)N)N)CC(C(=O)O)N |
