ESC
Summary
Name: | 2-AMINO-4-ETHYL SULFANYL BUTYRIC ACID |
Formula: | C6 H13 N O2 S |
Formal charge: | 0 |
Formula weight: | 163.238 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | S-ethyl-L-homocysteine |
OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-ethylsulfanyl-butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCSCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCSCC[C@H](N)C(O)=O |
SMILES | CACTVS | 3.341 | CCSCC[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCSCC[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CCSCCC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 |
InChIKey | InChI | 1.03 | GGLZPLKKBSSKCX-YFKPBYRVSA-N |