| PDB CCD ID: | BB1 |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C16 H31 N3 O4 |
| InChI: | InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1 |
| InChIKey: | AVDLWYHBABSSHC-CHWSQXEVSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CCCC[CH](CN(O)C=O)C(=O)N[CH](C(=O)N(C)C)C(C)(C)C | | CACTVS 3.341 | CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C | | OpenEye OEToolkits 1.5.0 | CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C | | ACDLabs 10.04 | O=C(N(C)C)C(NC(=O)C(CCCC)CN(O)C=O)C(C)(C)C | | OpenEye OEToolkits 1.5.0 | CCCCC(CN(C=O)O)C(=O)NC(C(=O)N(C)C)C(C)(C)C |
|
| Name: | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE;
BB-3497 |
| ChEMBL: | CHEMBL431210 |
| DrugBank: | DB04368 |
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