6M6
Summary
| Name: | S-[(2-phenylethyl)carbamothioyl]-L-cysteine |
| Formula: | C12 H16 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 284.398 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-[(2-phenylethyl)carbamothioyl]-L-cysteine |
| OpenEye OEToolkits | 2.0.4 | (2~{R})-2-azanyl-3-(2-phenylethylcarbamothioylsulfanyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S(C(NCCc1ccccc1)=S)CC(C(O)=O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O2S2/c13-10(11(15)16)8-18-12(17)14-7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,17)(H,15,16)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | FWNOABWJBHBVKJ-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSC(=S)NCCc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSC(=S)NCCc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)CCNC(=S)SCC(C(=O)O)N |
