| PDB CCD ID: | S7O |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H11 N4 O4 |
| InChI: | InChI=1S/C10H10N4O4/c1-13(5-8(15)16)9(17)6-2-3-7-11-12-10(18)14(7)4-6/h2-4H,5H2,1H3,(H2,12,15,16,18)/p+1 |
| InChIKey: | FPESGUDHYYBDOL-UHFFFAOYSA-O |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN(CC(O)=O)C(=O)c1ccc2NNC(=O)[n+]2c1 | | ACDLabs 12.01 | O=C(O)CN(C)C(=O)c1c[n+]2C(=O)NNc2cc1 | | OpenEye OEToolkits 2.0.7 | CN(CC(=O)O)C(=O)c1ccc2[n+](c1)C(=O)NN2 |
|
| Name: | 2-[methyl-[(9-oxidanylidene-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl)carbonyl]amino]ethanoic acid |
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