ZDP
Summary
| Name: | (2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID |
| Formula: | C8 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 204.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,6S)-2,6-diamino-2-methylheptanedioic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,6S)-2,6-diamino-2-methyl-heptanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)(CCCC(N)C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | TVZGBXIJPFGQBJ-XNCJUZBTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@](N)(CCC[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[C](N)(CCC[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | C[C@](CCC[C@@H](C(=O)O)N)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.5 | CC(CCCC(C(=O)O)N)(C(=O)O)N |
