Chemical Component Summary

NameTHREONINE-ASPARTIC ESTER
Identifiers(2S)-2-azanyl-4-[(2R,3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl]oxy-4-oxidanylidene-butanoic acid
FormulaC8 H14 N2 O6
Molecular Weight234.207
TypeL-PEPTIDE LINKING
Isomeric SMILESC[C@H]([C@@H](C(=O)O)N)OC(=O)C[C@@H](C(=O)O)N
InChIInChI=1S/C8H14N2O6/c1-3(6(10)8(14)15)16-5(11)2-4(9)7(12)13/h3-4,6H,2,9-10H2,1H3,(H,12,13)(H,14,15)/t3-,4+,6+/m1/s1
InChIKeyYWWVQWYBVSCACV-IWGUZYHVSA-N

Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count3
Bond Count29
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB01817 
NameThreonine-Aspartic Ester
Groups experimental
SynonymsThreonine-Aspartic Ester

Drug Targets

NameTarget SequencePharmacological ActionActions
L-asparaginase 2MEFFKKTALAALVMGFSGAALALPNITILATGGTIAGGGDSATKSNYTVG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 137348917