| PDB CCD ID: | XDD |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C14 H19 N7 O3 |
| InChI: | InChI=1S/C14H19N7O3/c15-8-2-1-3-9(8)21(5-11(23)24)10(22)4-20-7-19-12-13(16)17-6-18-14(12)20/h6-9H,1-5,15H2,(H,23,24)(H2,16,17,18)/t8-,9-/m0/s1 |
| InChIKey: | ZTNYOEGLXUSDRB-IUCAKERBSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C(n1cnc2c1ncnc2N)C(=O)N(CC(O)=O)C3CCCC3N | | OpenEye OEToolkits 2.0.7 | c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)C3CCCC3N)N | | CACTVS 3.385 | N[CH]1CCC[CH]1N(CC(O)=O)C(=O)Cn2cnc3c(N)ncnc23 | | OpenEye OEToolkits 2.0.7 | c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N | | CACTVS 3.385 | N[C@H]1CCC[C@@H]1N(CC(O)=O)C(=O)Cn2cnc3c(N)ncnc23 |
|
| Name: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine |
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