About [(1R,2S)-1-[4-[6-(1-aminoethyl)-3-pyridinyl]phenyl]-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate;benzyl N-[1-[5-[4-[(1R,2S)-1-bis(phenylmethoxy)phosphoryloxy-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-(5-bromo-2-pyridinyl)ethyl]carbamate;benzyl N-[1-[5-[4-[(1R,2S)-2-[(2,2-difluoroacetyl)amino]-3-fluoro-1-hydroxypropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]ethyl]carbamate;5-bromopyridine-2-carbaldehyde;2,2-difluoro-1-[(4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone
[(1R,2S)-1-[4-[6-(1-aminoethyl)-3-pyridinyl]phenyl]-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate;benzyl N-[1-[5-[4-[(1R,2S)-1-bis(phenylmethoxy)phosphoryloxy-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-(5-bromo-2-pyridinyl)ethyl]carbamate;benzyl N-[1-[5-[4-[(1R,2S)-2-[(2,2-difluoroacetyl)amino]-3-fluoro-1-hydroxypropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]ethyl]carbamate;5-bromopyridine-2-carbaldehyde;2,2-difluoro-1-[(4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone (PubChem CID 159724916) has the molecular formula C154H164BBr2F13N16O29P2
and a molecular weight of 3182.63 g/mol. Its IUPAC name is [(1R,2S)-1-[4-[6-(1-aminoethyl)-3-pyridinyl]phenyl]-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate;benzyl N-[1-[5-[4-[(1R,2S)-1-bis(phenylmethoxy)phosphoryloxy-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-(5-bromo-2-pyridinyl)ethyl]carbamate;benzyl N-[1-[5-[4-[(1R,2S)-2-[(2,2-difluoroacetyl)amino]-3-fluoro-1-hydroxypropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]ethyl]carbamate;5-bromopyridine-2-carbaldehyde;2,2-difluoro-1-[(4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone.
Frequently Asked Questions
What is the IUPAC name of [(1R,2S)-1-[4-[6-(1-aminoethyl)-3-pyridinyl]phenyl]-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate;benzyl N-[1-[5-[4-[(1R,2S)-1-bis(phenylmethoxy)phosphoryloxy-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-(5-bromo-2-pyridinyl)ethyl]carbamate;benzyl N-[1-[5-[4-[(1R,2S)-2-[(2,2-difluoroacetyl)amino]-3-fluoro-1-hydroxypropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]ethyl]carbamate;5-bromopyridine-2-carbaldehyde;2,2-difluoro-1-[(4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of [(1R,2S)-1-[4-[6-(1-aminoethyl)-3-pyridinyl]phenyl]-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate;benzyl N-[1-[5-[4-[(1R,2S)-1-bis(phenylmethoxy)phosphoryloxy-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-(5-bromo-2-pyridinyl)ethyl]carbamate;benzyl N-[1-[5-[4-[(1R,2S)-2-[(2,2-difluoroacetyl)amino]-3-fluoro-1-hydroxypropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]ethyl]carbamate;5-bromopyridine-2-carbaldehyde;2,2-difluoro-1-[(4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone (CID 159724916) is [(1R,2S)-1-[4-[6-(1-aminoethyl)-3-pyridinyl]phenyl]-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate;benzyl N-[1-[5-[4-[(1R,2S)-1-bis(phenylmethoxy)phosphoryloxy-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-(5-bromo-2-pyridinyl)ethyl]carbamate;benzyl N-[1-[5-[4-[(1R,2S)-2-[(2,2-difluoroacetyl)amino]-3-fluoro-1-hydroxypropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]ethyl]carbamate;5-bromopyridine-2-carbaldehyde;2,2-difluoro-1-[(4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for [(1R,2S)-1-[4-[6-(1-aminoethyl)-3-pyridinyl]phenyl]-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate;benzyl N-[1-[5-[4-[(1R,2S)-1-bis(phenylmethoxy)phosphoryloxy-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-(5-bromo-2-pyridinyl)ethyl]carbamate;benzyl N-[1-[5-[4-[(1R,2S)-2-[(2,2-difluoroacetyl)amino]-3-fluoro-1-hydroxypropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]ethyl]carbamate;5-bromopyridine-2-carbaldehyde;2,2-difluoro-1-[(4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for [(1R,2S)-1-[4-[6-(1-aminoethyl)-3-pyridinyl]phenyl]-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate;benzyl N-[1-[5-[4-[(1R,2S)-1-bis(phenylmethoxy)phosphoryloxy-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-(5-bromo-2-pyridinyl)ethyl]carbamate;benzyl N-[1-[5-[4-[(1R,2S)-2-[(2,2-difluoroacetyl)amino]-3-fluoro-1-hydroxypropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]ethyl]carbamate;5-bromopyridine-2-carbaldehyde;2,2-difluoro-1-[(4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone is CC(N)c1ccc(-c2ccc([C@@H](OP(=O)(O)O)[C@@H](CF)NC(=O)C(F)F)cc2)cn1.CC(NC(=O)OCc1ccccc1)c1ccc(-c2ccc([C@@H](O)[C@@H](CF)NC(=O)C(F)F)cc2)cn1.CC(NC(=O)OCc1ccccc1)c1ccc(-c2ccc([C@@H](OP(=O)(OCc3ccccc3)OCc3ccccc3)[C@@H](CF)NC(=O)C(F)F)cc2)cn1.CC(NC(=O)OCc1ccccc1)c1ccc(-c2ccc([C@H]3OC(C)(C)N(C(=O)C(F)F)[C@H]3CO)cc2)cn1.CC(NC(=O)OCc1ccccc1)c1ccc(Br)cn1.CC1(C)O[C@H](c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](CO)N1C(=O)C(F)F.O=Cc1ccc(Br)cn1.
What is the InChIKey of [(1R,2S)-1-[4-[6-(1-aminoethyl)-3-pyridinyl]phenyl]-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate;benzyl N-[1-[5-[4-[(1R,2S)-1-bis(phenylmethoxy)phosphoryloxy-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-(5-bromo-2-pyridinyl)ethyl]carbamate;benzyl N-[1-[5-[4-[(1R,2S)-2-[(2,2-difluoroacetyl)amino]-3-fluoro-1-hydroxypropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]ethyl]carbamate;5-bromopyridine-2-carbaldehyde;2,2-difluoro-1-[(4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is NAMXDPHVYKLWOW-WUBICWTGSA-N. The full InChI is InChI=1S/C40H39F3N3O7P.C29H31F2N3O5.C26H26F3N3O4.C20H28BF2NO5.C18H21F3N3O5P.C15H15BrN2O2.C6H4BrNO/c1-28(45-40(48)50-25-29-11-5-2-6-12-29)35-22-21-34(24-44-35)32-17-19-33(20-18-32)37(36(23-41)46-39(47)38(42)43)53-54(49,51-26-30-13-7-3-8-14-30)52-27-31-15-9-4-10-16-31;1-18(33-28(37)38-17-19-7-5-4-6-8-19)23-14-13-22(15-32-23)20-9-11-21(12-10-20)25-24(16-35)34(27(36)26(30)31)29(2,3)39-25;1-16(31-26(35)36-15-17-5-3-2-4-6-17)21-12-11-20(14-30-21)18-7-9-19(10-8-18)23(33)22(13-27)32-25(34)24(28)29;1-18(2)19(3,4)29-21(28-18)13-9-7-12(8-10-13)15-14(11-25)24(17(26)16(22)23)20(5,6)27-15;1-10(22)14-7-6-13(9-23-14)11-2-4-12(5-3-11)16(29-30(26,27)28)15(8-19)24-18(25)17(20)21;1-11(14-8-7-13(16)9-17-14)18-15(19)20-10-12-5-3-2-4-6-12;7-5-1-2-6(4-9)8-3-5/h2-22,24,28,36-38H,23,25-27H2,1H3,(H,45,48)(H,46,47);4-15,18,24-26,35H,16-17H2,1-3H3,(H,33,37);2-12,14,16,22-24,33H,13,15H2,1H3,(H,31,35)(H,32,34);7-10,14-16,25H,11H2,1-6H3;2-7,9-10,15-17H,8,22H2,1H3,(H,24,25)(H2,26,27,28);2-9,11H,10H2,1H3,(H,18,19);1-4H/t28?,36-,37-;18?,24-,25+;16?,22-,23-;14-,15+;10?,15-,16-;;/m10101../s1.
What are the key properties of [(1R,2S)-1-[4-[6-(1-aminoethyl)-3-pyridinyl]phenyl]-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate;benzyl N-[1-[5-[4-[(1R,2S)-1-bis(phenylmethoxy)phosphoryloxy-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-(5-bromo-2-pyridinyl)ethyl]carbamate;benzyl N-[1-[5-[4-[(1R,2S)-2-[(2,2-difluoroacetyl)amino]-3-fluoro-1-hydroxypropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]ethyl]carbamate;5-bromopyridine-2-carbaldehyde;2,2-difluoro-1-[(4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone?
[(1R,2S)-1-[4-[6-(1-aminoethyl)-3-pyridinyl]phenyl]-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate;benzyl N-[1-[5-[4-[(1R,2S)-1-bis(phenylmethoxy)phosphoryloxy-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-(5-bromo-2-pyridinyl)ethyl]carbamate;benzyl N-[1-[5-[4-[(1R,2S)-2-[(2,2-difluoroacetyl)amino]-3-fluoro-1-hydroxypropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]ethyl]carbamate;5-bromopyridine-2-carbaldehyde;2,2-difluoro-1-[(4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 3182.63 g/mol, XLogP of 28.92, 54 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-[4-[6-(1-aminoethyl)-3-pyridinyl]phenyl]-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate;benzyl N-[1-[5-[4-[(1R,2S)-1-bis(phenylmethoxy)phosphoryloxy-2-[(2,2-difluoroacetyl)amino]-3-fluoropropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-(5-bromo-2-pyridinyl)ethyl]carbamate;benzyl N-[1-[5-[4-[(1R,2S)-2-[(2,2-difluoroacetyl)amino]-3-fluoro-1-hydroxypropyl]phenyl]-2-pyridinyl]ethyl]carbamate;benzyl N-[1-[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]ethyl]carbamate;5-bromopyridine-2-carbaldehyde;2,2-difluoro-1-[(4S,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 159724916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).