GT9
Summary
Name: | S-NONYL-CYSTEINE |
Formula: | C12 H25 N O2 S |
Formal charge: | 0 |
Formula weight: | 247.397 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | S-nonyl-L-cysteine |
OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-nonylsulfanyl-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSCCCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCSC[C@H](N)C(O)=O |
SMILES | CACTVS | 3.341 | CCCCCCCCCSC[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCSC[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCSCC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C12H25NO2S/c1-2-3-4-5-6-7-8-9-16-10-11(13)12(14)15/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | NYQGIUKEPYHDNY-NSHDSACASA-N |