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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

ProgramVersionName
ACDLabs12.015-amino-D-isoleucine
OpenEye OEToolkits1.7.2(2R,3R)-2,5-bis(azanyl)-3-methyl-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N)C(CCN)C
InChIInChI1.03InChI=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
InChIKeyInChI1.03HYUPFEBCCJWDJX-RFZPGFLSSA-N
SMILES_CANONICALCACTVS3.370C[C@H](CCN)[C@@H](N)C(O)=O
SMILESCACTVS3.370C[CH](CCN)[CH](N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.2C[C@H](CCN)[C@H](C(=O)O)N
SMILESOpenEye OEToolkits1.7.2CC(CCN)C(C(=O)O)N

217705

PDB entries from 2024-03-27

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