LE1
Summary
Name: | 3-sulfanyl-L-valine |
Synonyms: | L-LE1ICILLAMINE L-Penicillamine |
Formula: | C5 H11 N O2 S |
Formal charge: | 0 |
Formula weight: | 149.211 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-sulfanyl-L-valine |
OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-methyl-3-sulfanyl-butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)C(S)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(S)[C@H](N)C(O)=O |
SMILES | CACTVS | 3.341 | CC(C)(S)[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)([C@@H](C(=O)O)N)S |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C(C(=O)O)N)S |
InChI | InChI | 1.03 | InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1 |
InChIKey | InChI | 1.03 | VVNCNSJFMMFHPL-GSVOUGTGSA-N |