J3D
Summary
| Name: | N-carboxy-L-cysteine |
| Formula: | C4 H7 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 165.168 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-carboxy-L-cysteine |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-(carboxyamino)-3-sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(S)C(C(O)=O)NC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H7NO4S/c6-3(7)2(1-10)5-4(8)9/h2,5,10H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | ZJMMJMHTXLTBFW-REOHCLBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)N[C@@H](CS)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)N[CH](CS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H](C(=O)O)NC(=O)O)S |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C(C(=O)O)NC(=O)O)S |
