TA4
Summary
| Name: | (S)-2-[4-(AMINOMETHYL)-1H-1,2,3-TRIAZOL-1-YL]-4-METHYLPENTANOIC ACID |
| Formula: | C9 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 212.249 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-4-methylpentanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[4-(aminomethyl)-1,2,3-triazol-1-yl]-4-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(n1nnc(c1)CN)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](n1cc(CN)nn1)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](n1cc(CN)nn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H](C(=O)O)n1cc(nn1)CN |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(=O)O)n1cc(nn1)CN |
| InChI | InChI | 1.03 | InChI=1S/C9H16N4O2/c1-6(2)3-8(9(14)15)13-5-7(4-10)11-12-13/h5-6,8H,3-4,10H2,1-2H3,(H,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | IAMZCZOWEDXWHW-QMMMGPOBSA-N |
