2NP
Summary
| Name: | L-2-AMINO-6-METHYLENE-PIMELIC ACID |
| Formula: | C8 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 187.193 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-6-methylideneheptanedioic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-6-methylidene-heptanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)/C(=C)CCCC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCC(=C)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCC(=C)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=C(CCC[C@@H](C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=C(CCCC(C(=O)O)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO4/c1-5(7(10)11)3-2-4-6(9)8(12)13/h6H,1-4,9H2,(H,10,11)(H,12,13)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | SGAIRWMSXVAPOO-LURJTMIESA-N |
