| PDB CCD ID: | RXI |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H20 N6 O4 |
| InChI: | InChI=1S/C18H20N6O4/c1-10-21-22-15-9-24(14(17(26)27)8-23(10)15)16(25)11-2-4-12(5-3-11)19-18(28)20-13-6-7-13/h2-5,13-14H,6-9H2,1H3,(H,26,27)(H2,19,20,28)/t14-/m0/s1 |
| InChIKey: | NVNVGIHHTGVADY-AWEZNQCLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | Cc1nnc2n1CC(N(C2)C(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O | | ACDLabs 12.01 | O=C(NC1CC1)Nc1ccc(cc1)C(=O)N1Cc2nnc(C)n2CC1C(=O)O | | OpenEye OEToolkits 2.0.7 | Cc1nnc2n1C[C@H](N(C2)C(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O | | CACTVS 3.385 | Cc1nnc2CN([CH](Cn12)C(O)=O)C(=O)c3ccc(NC(=O)NC4CC4)cc3 | | CACTVS 3.385 | Cc1nnc2CN([C@@H](Cn12)C(O)=O)C(=O)c3ccc(NC(=O)NC4CC4)cc3 |
|
| Name: | (6~{S})-7-[4-(cyclopropylcarbamoylamino)phenyl]carbonyl-3-methyl-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid |
