| PDB CCD ID: | MX5 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C15 H19 N3 O4 |
| InChI: | InChI=1S/C15H19N3O4/c16-18(10-15(21)22)14(20)8-7-13(19)17-9-3-5-11-4-1-2-6-12(11)17/h1-2,4,6H,3,5,7-10,16H2,(H,21,22) |
| InChIKey: | YSHCCGXJNYTHDM-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | NN(CC(O)=O)C(=O)CCC(=O)N1CCCc2ccccc12 | | ACDLabs 10.04 | O=C(O)CN(N)C(=O)CCC(=O)N2c1ccccc1CCC2 | | OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)CCCN2C(=O)CCC(=O)N(CC(=O)O)N |
|
| Name: | {1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID;
{N-[(E)-4-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)-4-OXO-BUT-2-ENOYL]-HYDRAZINO}-ACETIC ACID |
| ZINC: | ZINC000058650028 |
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