A1LWV
Summary
| Name: | (2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)hexanoic acid |
| Formula: | C11 H20 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 244.287 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H20N2O4/c12-9(11(16)17)5-1-3-7-13-10(15)6-2-4-8-14/h8-9H,1-7,12H2,(H,13,15)(H,16,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | IUBWATAYLBDTRN-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)CCCC=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)CCCC=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CCNC(=O)CCCC=O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CCNC(=O)CCCC=O)CC(C(=O)O)N |
