PDB CCD ID: | VQ6 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C11 H11 F2 N O2 |
InChI: | InChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)9(7)10(11(15)16)14-6-4-5-6/h1-3,6,10,14H,4-5H2,(H,15,16)/t10-/m1/s1 |
InChIKey: | LLCVJLSDVSYPMV-SNVBAGLBSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | c1cc(c(c(c1)F)C(C(=O)O)NC2CC2)F | ACDLabs 12.01 | OC(=O)C(NC1CC1)c1c(F)cccc1F | CACTVS 3.385 | OC(=O)[C@H](NC1CC1)c2c(F)cccc2F | CACTVS 3.385 | OC(=O)[CH](NC1CC1)c2c(F)cccc2F | OpenEye OEToolkits 2.0.7 | c1cc(c(c(c1)F)[C@H](C(=O)O)NC2CC2)F |
|
Name: | (2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid |
ZINC: | ZINC000037183603 |