| PDB CCD ID: | U5A |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C10 H17 N7 O2 |
| InChI: | InChI=1S/C10H17N7O2/c11-7-15-6-5(4-19-9(13)18)14-8(12)17-3-1-2-10(6,17)16-7/h5-6H,1-4H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t5-,6-,10+/m0/s1 |
| InChIKey: | WSPXQONARWJOKG-JFWOZONXSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C1CC23C(C(NC(=N)N2C1)COC(=O)N)NC(=N)N3 | | ACDLabs 12.01 | NC(=O)OCC2C1C3(N/C(N1)=N)N(/C(N2)=N)CCC3 | | OpenEye OEToolkits 2.0.7 | [H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)CCC3)COC(=O)N | | CACTVS 3.385 | NC(=O)OC[C@@H]1NC(=N)N2CCC[C@@]23NC(=N)N[C@@H]13 | | CACTVS 3.385 | NC(=O)OC[CH]1NC(=N)N2CCC[C]23NC(=N)N[CH]13 |
|
| Name: | [(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate |
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