UN1

?

Summary

Name:2-AMINOHEXANEDIOIC ACID
Formula:C6 H11 N O4
Formal charge:0
Molecular weight:161.156 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-2-aminohexanedioic acid
OpenEye OEToolkits1.5.0(2S)-2-aminohexanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CCCC(N)C(=O)O
SMILES_CANONICALCACTVS3.341N[C@@H](CCCC(O)=O)C(O)=O
SMILESCACTVS3.341N[CH](CCCC(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(C[C@@H](C(=O)O)N)CC(=O)O
SMILESOpenEye OEToolkits1.5.0C(CC(C(=O)O)N)CC(=O)O
InChIInChI1.03InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKeyInChI1.03OYIFNHCXNCRBQI-BYPYZUCNSA-N
170383
PDB entries from 2020-10-28