FF9
Summary
| Name: | (2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid |
| Formula: | C10 H18 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 230.261 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-6-[(~{E})-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H18N2O4/c1-2-8(10(15)16)12-6-4-3-5-7(11)9(13)14/h7H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-8+/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | CWKRAMLJAYWANT-ZMMCGQQISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=NCCCC[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CCC(=NCCCC[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=NCCCCC(C(=O)O)N)C(=O)O |
