C0O
Summary
| Name: | (~{Z},2~{R},6~{S})-2,6-bis(azanyl)hept-3-enedioic acid |
| Formula: | C7 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 188.181 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{Z},2~{R},6~{S})-2,6-bis(azanyl)hept-3-enedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H12N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h1-2,4-5H,3,8-9H2,(H,10,11)(H,12,13)/b2-1-/t4-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | PYWMQEZFWCITLG-SHXURVFISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C\C=C/[C@@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC=C[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(/C=C\[C@H](C(=O)O)N)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C=CC(C(=O)O)N)C(C(=O)O)N |
