S2C
Summary
| Name: | S-2-(BORONOETHYL)-L-CYSTEINE |
| Formula: | C5 H13 B N O5 S |
| Formal charge: | -1 |
| Formula weight: | 210.036 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}ethyl)(trihydroxy)borate(1-) |
| OpenEye OEToolkits | 1.7.0 | 2-[(2R)-2-azanyl-3-hydroxy-3-oxo-propyl]sulfanylethyl-trihydroxy-boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CSCC[B-](O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CSCC[B-](O)(O)O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CSCC[B-](O)(O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [B-](CCSC[C@@H](C(=O)O)N)(O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | [B-](CCSCC(C(=O)O)N)(O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H13BNO5S/c7-4(5(8)9)3-13-2-1-6(10,11)12/h4,10-12H,1-3,7H2,(H,8,9)/q-1/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | XLVRIIJULVQAMP-BYPYZUCNSA-N |
