Chemical Component Summary

Name(2R)-2-benzyl-3-nitropropanoic acid
Identifiers(2R)-2-(nitromethyl)-3-phenyl-propanoic acid
FormulaC10 H11 N O4
Molecular Weight209.199
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)O
InChIInChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m1/s1
InChIKeyGCXOTBPCUQHSAO-SECBINFHSA-N

Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count1
Bond Count26
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB06924 
Name(2R)-2-benzyl-3-nitropropanoic acid
Groups experimental
Synonyms(2R)-2-benzyl-3-nitropropanoic acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Carboxypeptidase A1MRGLLVLSVLLGAVFGKEDFVGHQVLRISVADEAQVQKVKELEDLEHLQL...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 CHEMBL407567
PubChem 24768537
ChEMBL CHEMBL407567