Chemical Component Summary

Name(2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid
Identifiers(2S)-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]propanoic acid
FormulaC13 H11 Cl N2 O4
Molecular Weight294.69
TypeNON-POLYMER
Isomeric SMILESC[C@@H](C(=O)O)NC(=O)c1c(c2ccccc2c(n1)Cl)O
InChIInChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/p-1/t6-/m0/s1
InChIKeyQJWFWOUODUTVCE-LURJTMIESA-M

Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count1
Bond Count32
Aromatic Bond Count11

Related Resource References

Resource NameReference
Pharos CHEMBL485022
PubChem 44591754
ChEMBL CHEMBL485022