CGV
Summary
| Name: | S-[(R)-carboxy(hydroxy)methyl]-L-cysteine |
| Formula: | C5 H9 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 195.194 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-[(R)-carboxy(hydroxy)methyl]-L-cysteine |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-azanyl-3-[(1R)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)SCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO5S/c6-2(3(7)8)1-12-5(11)4(9)10/h2,5,11H,1,6H2,(H,7,8)(H,9,10)/t2-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | ROTCVIARKSMYOM-JLAZNSOCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CS[C@@H](O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CS[CH](O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H](C(=O)O)N)S[C@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C(=O)O)N)SC(C(=O)O)O |
