PDB CCD ID: | W5I |
Number of entries in BioLiP: | 1 |
Chemical formula: | C10 H13 N O4 |
InChI: | InChI=1S/C10H13NO4/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,12-13H,4,11H2,1H3/t7-/m1/s1 |
InChIKey: | XBBDACCLCFWBSI-SSDOTTSWSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | COC(=O)[CH](N)Cc1ccc(O)c(O)c1 | OpenEye OEToolkits 2.0.7 | COC(=O)[C@@H](Cc1ccc(c(c1)O)O)N | CACTVS 3.385 | COC(=O)[C@H](N)Cc1ccc(O)c(O)c1 | OpenEye OEToolkits 2.0.7 | COC(=O)C(Cc1ccc(c(c1)O)O)N |
|
Name: | methyl (2~{R})-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate |
ZINC: | ZINC000019861874 |