VDE
Summary
| Name: | (2S)-2-azanyl-6-[4-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]hexanoic acid |
| Formula: | C11 H20 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 284.315 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-6-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H20N6O3/c12-8(11(19)20)3-1-2-4-17-6-7(15-16-17)5-9(13)10(14)18/h6,8-9H,1-5,12-13H2,(H2,14,18)(H,19,20)/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.06 | OXPRPPLOGXKLGL-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCn1cc(C[C@H](N)C(N)=O)nn1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCn1cc(C[CH](N)C(N)=O)nn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nnn1CCCC[C@@H](C(=O)O)N)C[C@@H](C(=O)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nnn1CCCCC(C(=O)O)N)CC(C(=O)N)N |
