LBZ
Summary
| Name: | (2~{S})-2-azanyl-6-benzamido-hexanoic acid |
| Formula: | C13 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 250.294 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-6-benzamido-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H18N2O3/c14-11(13(17)18)8-4-5-9-15-12(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,14H2,(H,15,16)(H,17,18)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | KODLJWKGAKBGOB-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)c1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)c1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)NCCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)NCCCCC(C(=O)O)N |
