0A8
Summary
| Name: | S-[(2-chloroethyl)carbamoyl]-L-cysteine |
| Formula: | C6 H11 Cl N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 226.681 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-[(2-chloroethyl)carbamoyl]-L-cysteine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(2-chloroethylcarbamoylsulfanyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSC(=O)NCCCl |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CSC(=O)NCCCl)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CSC(=O)NCCCl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCl)NC(=O)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCl)NC(=O)SCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H11ClN2O3S/c7-1-2-9-6(12)13-3-4(8)5(10)11/h4H,1-3,8H2,(H,9,12)(H,10,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | JFWAKRSZKNRPNA-BYPYZUCNSA-N |
