CZS
Summary
| Name: | 3-(6-chloro-1,3-benzothiazol-2-yl)-L-alanine |
| Formula: | C10 H9 Cl N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 256.709 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(6-chloro-1,3-benzothiazol-2-yl)-L-alanine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-(6-chloranyl-1,3-benzothiazol-2-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(Cc2sc1cc(Cl)ccc1n2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H9ClN2O2S/c11-5-1-2-7-8(3-5)16-9(13-7)4-6(12)10(14)15/h1-3,6H,4,12H2,(H,14,15)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | KSSCXTPJNWLKBQ-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1sc2cc(Cl)ccc2n1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1sc2cc(Cl)ccc2n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Cl)sc(n2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Cl)sc(n2)CC(C(=O)O)N |
