(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane

C224H225Cl4F14N25O57 — CID 159887069

IUPAC(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane
SMILESC.C=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F.CCOC(=O)[C@@H]1[C@@H](Cc2ccc(Cl)nc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccnc(Cl)c2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(F)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccncc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccc(Cl)nc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2cccnc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(Cl)c2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccncc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/2C24H24ClFN2O6.C24H25FN2O6.C23H23F2N3O6.2C22H20ClFN2O6.2C22H21FN2O6.C20H25F3N4O3.C20H18F2N4O6.CH4/c1-4-32-23(31)21-16(10-14-5-8-19(25)27-12-14)22(30)28(21)20(29)9-13(2)15-6-7-17-18(11-15)34-24(3,26)33-17;1-4-32-23(31)21-16(10-14-7-8-27-19(25)11-14)22(30)28(21)20(29)9-13(2)15-5-6-17-18(12-15)34-24(3,26)33-17;1-4-31-23(30)21-17(12-15-7-9-26-10-8-15)22(29)27(21)20(28)11-14(2)16-5-6-18-19(13-16)33-24(3,25)32-18;1-3-32-22(31)20-15(9-13-6-7-27-18(26)10-13)21(30)28(20)19(29)8-12(2)14-4-5-16-17(11-14)34-23(24,25)33-16;1-11(13-4-5-15-16(9-13)32-22(2,24)31-15)7-18(27)26-19(21(29)30)14(20(26)28)8-12-3-6-17(23)25-10-12;1-11(13-3-4-15-16(10-13)32-22(2,24)31-15)7-18(27)26-19(21(29)30)14(20(26)28)8-12-5-6-25-17(23)9-12;1-12(14-3-4-16-17(11-14)31-22(2,23)30-16)9-18(26)25-19(21(28)29)15(20(25)27)10-13-5-7-24-8-6-13;1-12(14-5-6-16-17(10-14)31-22(2,23)30-16)8-18(26)25-19(21(28)29)15(20(25)27)9-13-4-3-7-24-11-13;1-11-14(9-12-7-8-25-15(24)10-12)16(18(28)29)27(11)19(30)26-17(20(21,22)23)13-5-3-2-4-6-13;1-9(11-2-3-13-14(8-11)32-20(21,22)31-13)25-19(30)26-16(18(28)29)12(17(26)27)6-10-4-5-24-15(23)7-10;/h2*5-8,11-13,16,21H,4,9-10H2,1-3H3;5-10,13-14,17,21H,4,11-12H2,1-3H3;4-7,10-12,15,20H,3,8-9H2,1-2H3,(H2,26,27);2*3-6,9-11,14,19H,7-8H2,1-2H3,(H,29,30);3-8,11-12,15,19H,9-10H2,1-2H3,(H,28,29);3-7,10-12,15,19H,8-9H2,1-2H3,(H,28,29);7-8,10,13-14,16-17H,1-6,9H2,(H2,24,25)(H,26,30)(H,28,29);2-5,7-9,12,16H,6H2,1H3,(H2,23,24)(H,25,30)(H,28,29);1H4/t2*13-,16+,21-,24?;14-,17+,21-,24?;12-,15+,20-;2*11-,14+,19-,22?;2*12-,15+,19-,22?;14-,16-,17-;9-,12+,16-;/m0000000000./s1
InChIKeyNUGRNIPJPWYYHI-JCBMTQPLSA-N
MW4587.17 g/mol
LogP31.25
Rot. Bonds62

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane (PubChem CID 159887069) has the molecular formula C224H225Cl4F14N25O57 and a molecular weight of 4587.17 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane.

Molecular Properties

Compound Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane
PubChem CID159887069
Molecular FormulaC224H225Cl4F14N25O57
Molecular Weight4587.17 g/mol
Exact Mass4582.40
IUPAC Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane
SMILESC.C=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F.CCOC(=O)[C@@H]1[C@@H](Cc2ccc(Cl)nc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccnc(Cl)c2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(F)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccncc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccc(Cl)nc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2cccnc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(Cl)c2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccncc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/2C24H24ClFN2O6.C24H25FN2O6.C23H23F2N3O6.2C22H20ClFN2O6.2C22H21FN2O6.C20H25F3N4O3.C20H18F2N4O6.CH4/c1-4-32-23(31)21-16(10-14-5-8-19(25)27-12-14)22(30)28(21)20(29)9-13(2)15-6-7-17-18(11-15)34-24(3,26)33-17;1-4-32-23(31)21-16(10-14-7-8-27-19(25)11-14)22(30)28(21)20(29)9-13(2)15-5-6-17-18(12-15)34-24(3,26)33-17;1-4-31-23(30)21-17(12-15-7-9-26-10-8-15)22(29)27(21)20(28)11-14(2)16-5-6-18-19(13-16)33-24(3,25)32-18;1-3-32-22(31)20-15(9-13-6-7-27-18(26)10-13)21(30)28(20)19(29)8-12(2)14-4-5-16-17(11-14)34-23(24,25)33-16;1-11(13-4-5-15-16(9-13)32-22(2,24)31-15)7-18(27)26-19(21(29)30)14(20(26)28)8-12-3-6-17(23)25-10-12;1-11(13-3-4-15-16(10-13)32-22(2,24)31-15)7-18(27)26-19(21(29)30)14(20(26)28)8-12-5-6-25-17(23)9-12;1-12(14-3-4-16-17(11-14)31-22(2,23)30-16)9-18(26)25-19(21(28)29)15(20(25)27)10-13-5-7-24-8-6-13;1-12(14-5-6-16-17(10-14)31-22(2,23)30-16)8-18(26)25-19(21(28)29)15(20(25)27)9-13-4-3-7-24-11-13;1-11-14(9-12-7-8-25-15(24)10-12)16(18(28)29)27(11)19(30)26-17(20(21,22)23)13-5-3-2-4-6-13;1-9(11-2-3-13-14(8-11)32-20(21,22)31-13)25-19(30)26-16(18(28)29)12(17(26)27)6-10-4-5-24-15(23)7-10;/h2*5-8,11-13,16,21H,4,9-10H2,1-3H3;5-10,13-14,17,21H,4,11-12H2,1-3H3;4-7,10-12,15,20H,3,8-9H2,1-2H3,(H2,26,27);2*3-6,9-11,14,19H,7-8H2,1-2H3,(H,29,30);3-8,11-12,15,19H,9-10H2,1-2H3,(H,28,29);3-7,10-12,15,19H,8-9H2,1-2H3,(H,28,29);7-8,10,13-14,16-17H,1-6,9H2,(H2,24,25)(H,26,30)(H,28,29);2-5,7-9,12,16H,6H2,1H3,(H2,23,24)(H,25,30)(H,28,29);1H4/t2*13-,16+,21-,24?;14-,17+,21-,24?;12-,15+,20-;2*11-,14+,19-,22?;2*12-,15+,19-,22?;14-,16-,17-;9-,12+,16-;/m0000000000./s1
InChIKeyNUGRNIPJPWYYHI-JCBMTQPLSA-N
XLogP31.25
TPSA1082.89 Ų
H-Bond Donors11
H-Bond Acceptors64
Rotatable Bonds62
Heavy Atoms324
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004587.17
LogP ≤ 531.25
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1064

Analyze (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane with MolForge

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Related Compounds

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate
CID 160951713
(2S)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)butyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(3-fluoro-4-methylphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid
CID 167679802
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)butyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(3-fluoro-4-methylphenyl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-isoquinolin-8-ylbutanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-(3-isoquinolin-4-ylbutanoyl)-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[(3S)-3-pyrimidin-5-ylbutanoyl]azetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid
CID 162006933
(2S,3R)-3-[(3-bromophenyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-3-[[2-[2-(2-methylpropanoyloxymethoxy)-2-oxoethyl]-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(1,3-thiazol-4-ylmethyl)azetidine-2-carboxylic acid
CID 167701964
ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylate
CID 118303486
ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate
CID 157401071
ethyl (2S,3R)-1-[[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylate
CID 118300294
3-[(2-chloro-4-pyridinyl)methyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethylcarbamoyl]-4-oxoazetidine-2-carboxylic acid
CID 123989735
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid
CID 118300601
propan-2-yl 3-[(6-chloro-3-pyridinyl)methyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethylcarbamoyl]-4-oxoazetidine-2-carboxylate
CID 123819270
(2S,3R)-1-[[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid
CID 118299677
ethyl (2S,3R)-1-[[(1R)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-3-[[2-(methylamino)-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylate
CID 174179085

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane?
The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane (CID 159887069) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane.
What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane?
The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane is C.C=C1[C@H](Cc2ccnc(N)c2)[C@@H](C(=O)O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F.CCOC(=O)[C@@H]1[C@@H](Cc2ccc(Cl)nc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccnc(Cl)c2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(F)(F)O2.CCOC(=O)[C@@H]1[C@@H](Cc2ccncc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccc(Cl)nc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2cccnc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(Cl)c2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccncc2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.C[C@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)O)c1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane?
The InChIKey is NUGRNIPJPWYYHI-JCBMTQPLSA-N. The full InChI is InChI=1S/2C24H24ClFN2O6.C24H25FN2O6.C23H23F2N3O6.2C22H20ClFN2O6.2C22H21FN2O6.C20H25F3N4O3.C20H18F2N4O6.CH4/c1-4-32-23(31)21-16(10-14-5-8-19(25)27-12-14)22(30)28(21)20(29)9-13(2)15-6-7-17-18(11-15)34-24(3,26)33-17;1-4-32-23(31)21-16(10-14-7-8-27-19(25)11-14)22(30)28(21)20(29)9-13(2)15-5-6-17-18(12-15)34-24(3,26)33-17;1-4-31-23(30)21-17(12-15-7-9-26-10-8-15)22(29)27(21)20(28)11-14(2)16-5-6-18-19(13-16)33-24(3,25)32-18;1-3-32-22(31)20-15(9-13-6-7-27-18(26)10-13)21(30)28(20)19(29)8-12(2)14-4-5-16-17(11-14)34-23(24,25)33-16;1-11(13-4-5-15-16(9-13)32-22(2,24)31-15)7-18(27)26-19(21(29)30)14(20(26)28)8-12-3-6-17(23)25-10-12;1-11(13-3-4-15-16(10-13)32-22(2,24)31-15)7-18(27)26-19(21(29)30)14(20(26)28)8-12-5-6-25-17(23)9-12;1-12(14-3-4-16-17(11-14)31-22(2,23)30-16)9-18(26)25-19(21(28)29)15(20(25)27)10-13-5-7-24-8-6-13;1-12(14-5-6-16-17(10-14)31-22(2,23)30-16)8-18(26)25-19(21(28)29)15(20(25)27)9-13-4-3-7-24-11-13;1-11-14(9-12-7-8-25-15(24)10-12)16(18(28)29)27(11)19(30)26-17(20(21,22)23)13-5-3-2-4-6-13;1-9(11-2-3-13-14(8-11)32-20(21,22)31-13)25-19(30)26-16(18(28)29)12(17(26)27)6-10-4-5-24-15(23)7-10;/h2*5-8,11-13,16,21H,4,9-10H2,1-3H3;5-10,13-14,17,21H,4,11-12H2,1-3H3;4-7,10-12,15,20H,3,8-9H2,1-2H3,(H2,26,27);2*3-6,9-11,14,19H,7-8H2,1-2H3,(H,29,30);3-8,11-12,15,19H,9-10H2,1-2H3,(H,28,29);3-7,10-12,15,19H,8-9H2,1-2H3,(H,28,29);7-8,10,13-14,16-17H,1-6,9H2,(H2,24,25)(H,26,30)(H,28,29);2-5,7-9,12,16H,6H2,1H3,(H2,23,24)(H,25,30)(H,28,29);1H4/t2*13-,16+,21-,24?;14-,17+,21-,24?;12-,15+,20-;2*11-,14+,19-,22?;2*12-,15+,19-,22?;14-,16-,17-;9-,12+,16-;/m0000000000./s1.
What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane?
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane has a molecular weight of 4587.17 g/mol, XLogP of 31.25, 62 rotatable bonds, 11 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane is sourced from PubChem (CID 159887069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).