PBB
Summary
| Name: | S-(4-BROMOBENZYL)CYSTEINE |
| Formula: | C10 H12 Br N O2 S |
| Formal charge: | 0 |
| Formula weight: | 290.177 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-(4-bromobenzyl)-L-cysteine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-[(4-bromophenyl)methylsulfanyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc1ccc(cc1)CSCC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CSCc1ccc(Br)cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CSCc1ccc(Br)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CSC[C@@H](C(=O)O)N)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CSCC(C(=O)O)N)Br |
| InChI | InChI | 1.03 | InChI=1S/C10H12BrNO2S/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | QZGWXEMBSFZEBK-VIFPVBQESA-N |
