| PDB CCD ID: | DC2 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C7 H11 Cl2 N O3 S |
| InChI: | InChI=1S/C7H11Cl2NO3S/c1-4(11)10-5(7(12)13)3-14-6(9)2-8/h5-6H,2-3H2,1H3,(H,10,11)(H,12,13)/t5-,6+/m0/s1 |
| InChIKey: | IORNBBWVBAMRIG-NTSWFWBYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | CC(=O)N[C@@H](CS[C@H](CCl)Cl)C(=O)O | | CACTVS 3.370 | CC(=O)N[CH](CS[CH](Cl)CCl)C(O)=O | | OpenEye OEToolkits 1.7.0 | CC(=O)NC(CSC(CCl)Cl)C(=O)O | | CACTVS 3.370 | CC(=O)N[C@@H](CS[C@@H](Cl)CCl)C(O)=O | | ACDLabs 12.01 | O=C(NC(C(=O)O)CSC(Cl)CCl)C |
|
| Name: | N-acetyl-S-[(1S)-1,2-dichloroethyl]-L-cysteine |
| ZINC: | ZINC000058631730 |
zhanggroup.org