TF7
Summary
| Name: | (3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine |
| Formula: | C7 H14 N4 O4 S |
| Formal charge: | 0 |
| Formula weight: | 250.275 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine |
| OpenEye OEToolkits | 1.7.0 | (2S,3S)-2-azanyl-3-(dihydroxy-$l^{4}-sulfanyl)-3-methyl-4-(1,2,3-triazol-1-yl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(S(O)O)(Cn1nncc1)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@](Cn1ccnn1)([C@@H](N)C(O)=O)[SH](O)O |
| SMILES | CACTVS | 3.370 | C[C](Cn1ccnn1)([CH](N)C(O)=O)[SH](O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@](Cn1ccnn1)([C@H](C(=O)O)N)S(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(Cn1ccnn1)(C(C(=O)O)N)S(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H14N4O4S/c1-7(16(14)15,5(8)6(12)13)4-11-3-2-9-10-11/h2-3,5,14-16H,4,8H2,1H3,(H,12,13)/t5-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | YZPZKAQMEJGYGB-FSPLSTOPSA-N |
