4QK
Summary
| Name: | 6-[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]-L-norleucine |
| Formula: | C10 H19 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 241.29 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]-L-norleucine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-6-[4-(2-azanylethyl)-1,2,3-triazol-1-yl]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CCCCn1cc(CCN)nn1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H19N5O2/c11-5-4-8-7-15(14-13-8)6-2-1-3-9(12)10(16)17/h7,9H,1-6,11-12H2,(H,16,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | KBEXJPQJYWPLIB-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1cn(CCCC[C@H](N)C(O)=O)nn1 |
| SMILES | CACTVS | 3.385 | NCCc1cn(CCCC[CH](N)C(O)=O)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(nnn1CCCC[C@@H](C(=O)O)N)CCN |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(nnn1CCCCC(C(=O)O)N)CCN |
