PDB CCD ID: | ZUE |
Number of entries in BioLiP: | 1 |
Chemical formula: | C21 H20 Cl N3 O5 |
InChI: | InChI=1S/C21H20ClN3O5/c1-30-16-8-3-2-5-13(16)11-23-18(26)12-25-17(9-10-19(27)28)24-20-14(21(25)29)6-4-7-15(20)22/h2-8H,9-12H2,1H3,(H,23,26)(H,27,28) |
InChIKey: | YLHSFRZHEMHKAF-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | COc1ccccc1CNC(=O)CN1C(=Nc2c(cccc2Cl)C1=O)CCC(=O)O | OpenEye OEToolkits 2.0.7 | COc1ccccc1CNC(=O)CN2C(=Nc3c(cccc3Cl)C2=O)CCC(=O)O | CACTVS 3.385 | COc1ccccc1CNC(=O)CN2C(=O)c3cccc(Cl)c3N=C2CCC(O)=O |
|
Name: | 3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid |