S2P
Summary
| Name: | (2S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid |
| Formula: | C5 H7 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 189.192 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(4-hydroxy-1,2,5-thiadiazol-3-yl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc1nsnc1O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1nsnc1O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1nsnc1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(c1c(nsn1)O)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(c1c(nsn1)O)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H7N3O3S/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | SEVVPWOEIHLQGH-REOHCLBHSA-N |
