PDB CCD ID: | HCL |
Number of entries in BioLiP: | 0 |
Chemical formula: | C8 H8 Cl N O4 |
InChI: | InChI=1S/C8H8ClNO4/c9-6-4(7(10)8(13)14)1-3(11)2-5(6)12/h1-2,7,11-12H,10H2,(H,13,14)/t7-/m0/s1 |
InChIKey: | DFGDRLKNGUTURO-ZETCQYMHSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.370 | N[C@H](C(O)=O)c1cc(O)cc(O)c1Cl | OpenEye OEToolkits 1.7.6 | c1c(cc(c(c1C(C(=O)O)N)Cl)O)O | CACTVS 3.370 | N[CH](C(O)=O)c1cc(O)cc(O)c1Cl | OpenEye OEToolkits 1.7.6 | c1c(cc(c(c1[C@@H](C(=O)O)N)Cl)O)O |
|
Name: | (2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid |
ZINC: | ZINC000026579639 |