KEL

N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine


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Chemical Component Summary

NameN-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine
Identifiers(2S)-2-[[(2R)-4-(hydroxyamino)-4-oxo-2-(phenylmethyl)butanoyl]amino]propanoic acid
FormulaC14 H18 N2 O5
Molecular Weight294.303
TypeNON-POLYMER
Isomeric SMILESC[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO
InChIInChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1
InChIKeyOJCFZTVYDSKXNM-GXSJLCMTSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count2
Bond Count39
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB08040 
NameKelatorphan
Groups experimental
Synonyms
  • Kelatorphan
  • (3-(N-Hydroxy)carboxamido-2-benzylpropanoyl)alanine
Categories
  • Amino Acids, Peptides, and Proteins
  • Analgesics
  • Central Nervous System Agents
  • Oligopeptides
  • Peptides
CAS number92175-57-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Leukotriene A-4 hydrolaseMPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNL...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
Pharos CHEMBL85320
PubChem 123982
ChEMBL CHEMBL85320