LME
Summary
Name: | (2S,3R)-2-azanyl-3-methyl-pentanedioic acid |
Synonyms: | (3R)-3-methyl-L-glutamic acid |
Formula: | C6 H11 N O4 |
Formal charge: | 0 |
Formula weight: | 161.156 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (3R)-3-methyl-L-glutamic acid |
OpenEye OEToolkits | 1.7.0 | (2S,3R)-2-azanyl-3-methyl-pentanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(CC(=O)O)C |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](CC(O)=O)[C@H](N)C(O)=O |
SMILES | CACTVS | 3.370 | C[CH](CC(O)=O)[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H](CC(=O)O)[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(CC(=O)O)C(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5+/m1/s1 |
InChIKey | InChI | 1.03 | FHJNAFIJPFGZRI-WUJLRWPWSA-N |