MD0
Summary
Name: | 5-amino-D-isoleucine |
Formula: | C6 H14 N2 O2 |
Formal charge: | 0 |
Formula weight: | 146.188 Da |
Component type: | D-peptide linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 5-amino-D-isoleucine |
OpenEye OEToolkits | 1.7.2 | (2R,3R)-2,5-bis(azanyl)-3-methyl-pentanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(CCN)C |
InChI | InChI | 1.03 | InChI=1S/C6H14N2O2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m1/s1 |
InChIKey | InChI | 1.03 | HYUPFEBCCJWDJX-RFZPGFLSSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](CCN)[C@@H](N)C(O)=O |
SMILES | CACTVS | 3.370 | C[CH](CCN)[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[C@H](CCN)[C@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.2 | CC(CCN)C(C(=O)O)N |