| PDB CCD ID: | AHS |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C15 H30 N2 O3 |
| InChI: | InChI=1S/C15H30N2O3/c1-11(2)9-17(15(19)20)10-14(18)13(16)8-12-6-4-3-5-7-12/h11-14,18H,3-10,16H2,1-2H3,(H,19,20)/t13-,14-/m0/s1 |
| InChIKey: | AXBVZKHUXGSFMA-KBPBESRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | CC(C)CN(CC(C(CC1CCCCC1)N)O)C(=O)O | | CACTVS 3.370 | CC(C)CN(C[CH](O)[CH](N)CC1CCCCC1)C(O)=O | | OpenEye OEToolkits 1.7.0 | CC(C)CN(C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O | | ACDLabs 12.01 | O=C(O)N(CC(C)C)CC(O)C(N)CC1CCCCC1 | | CACTVS 3.370 | CC(C)CN(C[C@H](O)[C@@H](N)CC1CCCCC1)C(O)=O |
|
| Name: | (3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BUTYL)-ISOBUTYL-CARBAMIC ACID |
| ZINC: | ZINC000034930457 |
zhanggroup.org