PDB CCD ID: | 4XF |
Number of entries in BioLiP: | 1 |
Chemical formula: | C8 H13 N4 O |
InChI: | InChI=1S/C8H12N4O/c1-5(9)8(13)12-7-4-2-3-6(10)11-7/h2-5H,9H2,1H3,(H3,10,11,12,13)/p+1/t5-/m0/s1 |
InChIKey: | LRIKRUHIPRIMEM-YFKPBYRVSA-O |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | C[CH]([NH3+])C(=O)Nc1cccc(N)n1 | ACDLabs 12.01 | CC([NH3+])C(=O)Nc1cccc(n1)N | OpenEye OEToolkits 1.9.2 | CC(C(=O)Nc1cccc(n1)N)[NH3+] | CACTVS 3.385 | C[C@H]([NH3+])C(=O)Nc1cccc(N)n1 | OpenEye OEToolkits 1.9.2 | C[C@@H](C(=O)Nc1cccc(n1)N)[NH3+] |
|
Name: | (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium |