PLW
Summary
| Name: | (2S)-2-[5-(1S,2S)-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID |
| Formula: | C10 H18 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 226.276 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-{5-[(1S,2S)-1-amino-2-methylbutyl]-1H-1,2,3-triazol-1-yl}propanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-[5-[(1S,2S)-1-azanyl-2-methyl-butyl]-1,2,3-triazol-1-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(n1nncc1C(N)C(C)CC)C |
| InChI | InChI | 1.03 | InChI=1S/C10H18N4O2/c1-4-6(2)9(11)8-5-12-13-14(8)7(3)10(15)16/h5-7,9H,4,11H2,1-3H3,(H,15,16)/t6-,7-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | DLMMPFLEEKGBCE-ZKWXMUAHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)[C@H](N)c1cnnn1[C@@H](C)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](C)[CH](N)c1cnnn1[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC[C@H](C)[C@@H](c1cnnn1[C@@H](C)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC(C)C(c1cnnn1C(C)C(=O)O)N |
