About tert-butyl N-[[1-[5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;2-fluoro-4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine;methyl 4-azido-3-hydroxycyclohexane-1-carboxylate;methyl cyclohex-3-ene-1-carboxylate;methyl 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
tert-butyl N-[[1-[5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;2-fluoro-4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine;methyl 4-azido-3-hydroxycyclohexane-1-carboxylate;methyl cyclohex-3-ene-1-carboxylate;methyl 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate (PubChem CID 158376118) has the molecular formula C133H199F4N17O30
and a molecular weight of 2592.14 g/mol. Its IUPAC name is tert-butyl N-[[1-[5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;2-fluoro-4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine;methyl 4-azido-3-hydroxycyclohexane-1-carboxylate;methyl cyclohex-3-ene-1-carboxylate;methyl 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate.
Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[[1-[5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;2-fluoro-4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine;methyl 4-azido-3-hydroxycyclohexane-1-carboxylate;methyl cyclohex-3-ene-1-carboxylate;methyl 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The IUPAC name of tert-butyl N-[[1-[5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;2-fluoro-4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine;methyl 4-azido-3-hydroxycyclohexane-1-carboxylate;methyl cyclohex-3-ene-1-carboxylate;methyl 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate (CID 158376118) is tert-butyl N-[[1-[5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;2-fluoro-4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine;methyl 4-azido-3-hydroxycyclohexane-1-carboxylate;methyl cyclohex-3-ene-1-carboxylate;methyl 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate.
What is the SMILES notation for tert-butyl N-[[1-[5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;2-fluoro-4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine;methyl 4-azido-3-hydroxycyclohexane-1-carboxylate;methyl cyclohex-3-ene-1-carboxylate;methyl 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The canonical SMILES for tert-butyl N-[[1-[5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;2-fluoro-4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine;methyl 4-azido-3-hydroxycyclohexane-1-carboxylate;methyl cyclohex-3-ene-1-carboxylate;methyl 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate is CC(C)(C)OC(=O)N(CC1(C(N)=NO)CC1)[C@@H]1C[C@H]1c1ccccc1.CC(C)(C)OC(=O)NC1CCC(C(=O)O)CC1F.CC(C)(C)OC(=O)NC1CCC(c2nc(C3(CN(C(=O)OC(C)(C)C)[C@@H]4C[C@H]4c4ccccc4)CC3)no2)CC1F.COC(=O)C1CC=CCC1.COC(=O)C1CCC(N=[N+]=[N-])C(O)C1.COC(=O)C1CCC(NC(=O)OC(C)(C)C)C(F)C1.COC(=O)C1CCC(NC(=O)OC(C)(C)C)C(O)C1.COC(=O)C1CCC2OC2C1.NC1CCC(c2nc(C3(CN[C@@H]4C[C@H]4c4ccccc4)CC3)no2)CC1F.
What is the InChIKey of tert-butyl N-[[1-[5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;2-fluoro-4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine;methyl 4-azido-3-hydroxycyclohexane-1-carboxylate;methyl cyclohex-3-ene-1-carboxylate;methyl 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The InChIKey is GVFGNBCLNNCQIT-AFHWJAROSA-N. The full InChI is InChI=1S/C31H43FN4O5.C21H27FN4O.C19H27N3O3.C13H22FNO4.C13H23NO5.C12H20FNO4.C8H13N3O3.C8H12O3.C8H12O2/c1-29(2,3)39-27(37)33-23-13-12-20(16-22(23)32)25-34-26(35-41-25)31(14-15-31)18-36(28(38)40-30(4,5)6)24-17-21(24)19-10-8-7-9-11-19;22-16-10-14(6-7-17(16)23)19-25-20(26-27-19)21(8-9-21)12-24-18-11-15(18)13-4-2-1-3-5-13;1-18(2,3)25-17(23)22(12-19(9-10-19)16(20)21-24)15-11-14(15)13-7-5-4-6-8-13;1-13(2,3)19-12(17)15-10-6-5-8(7-9(10)14)11(16)18-4;1-13(2,3)19-12(17)14-9-6-5-8(7-10(9)15)11(16)18-4;1-12(2,3)18-11(17)14-9-5-4-7(10(15)16)6-8(9)13;1-14-8(13)5-2-3-6(10-11-9)7(12)4-5;1-10-8(9)5-2-3-6-7(4-5)11-6;1-10-8(9)7-5-3-2-4-6-7/h7-11,20-24H,12-18H2,1-6H3,(H,33,37);1-5,14-18,24H,6-12,23H2;4-8,14-15,24H,9-12H2,1-3H3,(H2,20,21);8-10H,5-7H2,1-4H3,(H,15,17);8-10,15H,5-7H2,1-4H3,(H,14,17);7-9H,4-6H2,1-3H3,(H,14,17)(H,15,16);5-7,12H,2-4H2,1H3;5-7H,2-4H2,1H3;2-3,7H,4-6H2,1H3/t20?,21-,22?,23?,24+;14?,15-,16?,17?,18+;14-,15+;;;;;;/m000....../s1.
What are the key properties of tert-butyl N-[[1-[5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;2-fluoro-4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine;methyl 4-azido-3-hydroxycyclohexane-1-carboxylate;methyl cyclohex-3-ene-1-carboxylate;methyl 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
tert-butyl N-[[1-[5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;2-fluoro-4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine;methyl 4-azido-3-hydroxycyclohexane-1-carboxylate;methyl cyclohex-3-ene-1-carboxylate;methyl 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate has a molecular weight of 2592.14 g/mol, XLogP of 21.63, 28 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[5-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[[1-(N'-hydroxycarbamimidoyl)cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate;3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;2-fluoro-4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine;methyl 4-azido-3-hydroxycyclohexane-1-carboxylate;methyl cyclohex-3-ene-1-carboxylate;methyl 3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate is sourced from PubChem (CID 158376118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).