C3Y
Summary
| Name: | S-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-L-CYSTEINE |
| Formula: | C5 H12 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 196.225 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-[(1S)-1-hydroxy-1-(hydroxyamino)ethyl]-L-cysteine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-[(1S)-1-hydroxy-1-(hydroxyamino)ethyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSC(O)(NO)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@](O)(NO)SC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | C[C](O)(NO)SC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@](NO)(O)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(NO)(O)SCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H12N2O4S/c1-5(10,7-11)12-2-3(6)4(8)9/h3,7,10-11H,2,6H2,1H3,(H,8,9)/t3-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | XIYHYGCLIYYYPL-UCORVYFPSA-N |
