NFQ

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Summary

Name:N-[(E)-iminomethyl]-L-aspartic acid
Synonyms:N-formimino-L-Aspartate
Formula:C5 H8 N2 O4
Formal charge:0
Molecular weight:160.128 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(E)-iminomethyl]-L-aspartic acid
OpenEye OEToolkits1.7.0(2S)-2-methanimidamidobutanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(NC=[N@H])CC(=O)O
SMILES_CANONICALCACTVS3.370OC(=O)C[C@H](NC=N)C(O)=O
SMILESCACTVS3.370OC(=O)C[CH](NC=N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0[H]/N=C/N[C@@H](CC(=O)O)C(=O)O
SMILESOpenEye OEToolkits1.7.0C(C(C(=O)O)NC=N)C(=O)O
InChIInChI1.03InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1
InChIKeyInChI1.03XTPIFIMCFHNJOH-VKHMYHEASA-N
170172
PDB entries from 2020-10-21