| PDB CCD ID: | 00U |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C15 H19 N3 O3 |
| InChI: | InChI=1S/C15H19N3O3/c16-15(10-11-4-2-1-3-5-11)7-9-17-8-6-12(13(19)20)18(17)14(15)21/h1-5,12H,6-10,16H2,(H,19,20)/t12-,15+/m0/s1 |
| InChIKey: | VSGVOMMUKACZDZ-SWLSCSKDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | c1ccc(cc1)CC2(CCN3CCC(N3C2=O)C(=O)O)N | | CACTVS 3.370 | N[C@]1(CCN2CC[C@H](N2C1=O)C(O)=O)Cc3ccccc3 | | ACDLabs 12.01 | O=C(O)C2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3 | | OpenEye OEToolkits 1.7.0 | c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)O)N | | CACTVS 3.370 | N[C]1(CCN2CC[CH](N2C1=O)C(O)=O)Cc3ccccc3 |
|
| Name: | (1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxylic acid |
| ZINC: | ZINC000098207727 |
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