A1A2K
Summary
| Name: | 3-[1-(carboxymethyl)-1H-1,2,3-triazol-4-yl]-D-alanine |
| Formula: | C7 H10 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 214.179 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-[1-(carboxymethyl)-1H-1,2,3-triazol-4-yl]-D-alanine |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-2-azanyl-3-[1-(2-hydroxy-2-oxoethyl)-1,2,3-triazol-4-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC(=O)Cn1cc(CC(N)C(=O)O)nn1 |
| InChI | InChI | 1.06 | InChI=1S/C7H10N4O4/c8-5(7(14)15)1-4-2-11(10-9-4)3-6(12)13/h2,5H,1,3,8H2,(H,12,13)(H,14,15)/t5-/m1/s1 |
| InChIKey | InChI | 1.06 | SKGULNXKJSHPGF-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](Cc1cn(CC(O)=O)nn1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1cn(CC(O)=O)nn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c(nnn1CC(=O)O)C[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c(nnn1CC(=O)O)CC(C(=O)O)N |
