J9A

?

Summary

Name:N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine
Formula:C8 H15 N3 O5
Formal charge:0
Molecular weight:233.222 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine
OpenEye OEToolkits2.0.6(4~{S})-4-azanyl-5-[[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]amino]-5-oxidanylidene-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCC(N)C(=O)NCC(C(=O)O)N
InChIInChI1.03InChI=1S/C8H15N3O5/c9-4(1-2-6(12)13)7(14)11-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4-,5-/m0/s1
InChIKeyInChI1.03RPRHUASTZXFZKO-WHFBIAKZSA-N
SMILES_CANONICALCACTVS3.385N[C@@H](CCC(O)=O)C(=O)NC[C@H](N)C(O)=O
SMILESCACTVS3.385N[CH](CCC(O)=O)C(=O)NC[CH](N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6C(CC(=O)O)[C@@H](C(=O)NC[C@@H](C(=O)O)N)N
SMILESOpenEye OEToolkits2.0.6C(CC(=O)O)C(C(=O)NCC(C(=O)O)N)N