(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

C142H141BrClF6N11O40S — CID 167701964

About (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

(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 (PubChem CID 167701964) has the molecular formula C142H141BrClF6N11O40S and a molecular weight of 2903.14 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 167701964
• Molecular Formula: C142H141BrClF6N11O40S
• Molecular Weight: 2903.14 g/mol
• Exact Mass: 2899.78
• IUPAC Name: (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
• SMILES: CC(C)C(=O)OCOC(=O)Cc1cc(C[C@H]2C(=O)N(C(=O)C[C@H](C)c3ccc4c(c3)OC(C)(F)O4)[C@@H]2C(=O)O)ccn1.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](Cc2cccnc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2cccc(Br)c2)[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](Cc2cscn2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2
• InChI: InChI=1S/C29H31FN2O10.C24H24ClFN2O6.C24H25FN2O6.C23H21BrFNO6.C22H21FN2O6.C20H19FN2O6S/c1-15(2)28(38)40-14-39-24(34)13-19-10-17(7-8-31-19)11-20-25(27(36)37)32(26(20)35)23(33)9-16(3)18-5-6-21-22(12-18)42-29(4,30)41-21;1-4-32-23(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;1-4-31-23(30)21-17(11-15-6-5-9-26-13-15)22(29)27(21)20(28)10-14(2)16-7-8-18-19(12-16)33-24(3,25)32-18;1-12(14-6-7-17-18(11-14)32-23(2,25)31-17)8-19(27)26-20(22(29)30)16(21(26)28)10-13-4-3-5-15(24)9-13;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;1-10(11-3-4-14-15(6-11)29-20(2,21)28-14)5-16(24)23-17(19(26)27)13(18(23)25)7-12-8-30-9-22-12/h5-8,10,12,15-16,20,25H,9,11,13-14H2,1-4H3,(H,36,37);5-8,11-13,16,21H,4,9-10H2,1-3H3;5-9,12-14,17,21H,4,10-11H2,1-3H3;3-7,9,11-12,16,20H,8,10H2,1-2H3,(H,29,30);3-7,10-12,15,19H,8-9H2,1-2H3,(H,28,29);3-4,6,8-10,13,17H,5,7H2,1-2H3,(H,26,27)/t16-,20+,25-,29?;13-,16+,21-,24?;14-,17+,21-,24?;12-,16+,20-,23?;12-,15+,19-,22?;10-,13+,17-,20?/m000000/s1
• InChIKey: YNHKMAAKKGCODI-AKBZEAOHSA-N
• XLogP: 19.30
• TPSA: 653.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 43
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2903.14
LogP ≤ 5	19.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC(C)C(=O)OCOC(=O)Cc1cc(C[C@H]2C(=O)N(C(=O)C[C@H](C)c3ccc4c(c3)OC(C)(F)O4)[C@@H]2C(=O)O)ccn1.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](Cc2cccnc2)C(=O)N1C(=O)C[C@H](C)c1ccc2c(c1)OC(C)(F)O2.C[C@@H](CC(=O)N1C(=O)[C@H](Cc2cccc(Br)c2)[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](Cc2cscn2)[C@H]1C(=O)O)c1ccc2c(c1)OC(C)(F)O2.

What is the InChIKey of (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?

The InChIKey is YNHKMAAKKGCODI-AKBZEAOHSA-N. The full InChI is InChI=1S/C29H31FN2O10.C24H24ClFN2O6.C24H25FN2O6.C23H21BrFNO6.C22H21FN2O6.C20H19FN2O6S/c1-15(2)28(38)40-14-39-24(34)13-19-10-17(7-8-31-19)11-20-25(27(36)37)32(26(20)35)23(33)9-16(3)18-5-6-21-22(12-18)42-29(4,30)41-21;1-4-32-23(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;1-4-31-23(30)21-17(11-15-6-5-9-26-13-15)22(29)27(21)20(28)10-14(2)16-7-8-18-19(12-16)33-24(3,25)32-18;1-12(14-6-7-17-18(11-14)32-23(2,25)31-17)8-19(27)26-20(22(29)30)16(21(26)28)10-13-4-3-5-15(24)9-13;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;1-10(11-3-4-14-15(6-11)29-20(2,21)28-14)5-16(24)23-17(19(26)27)13(18(23)25)7-12-8-30-9-22-12/h5-8,10,12,15-16,20,25H,9,11,13-14H2,1-4H3,(H,36,37);5-8,11-13,16,21H,4,9-10H2,1-3H3;5-9,12-14,17,21H,4,10-11H2,1-3H3;3-7,9,11-12,16,20H,8,10H2,1-2H3,(H,29,30);3-7,10-12,15,19H,8-9H2,1-2H3,(H,28,29);3-4,6,8-10,13,17H,5,7H2,1-2H3,(H,26,27)/t16-,20+,25-,29?;13-,16+,21-,24?;14-,17+,21-,24?;12-,16+,20-,23?;12-,15+,19-,22?;10-,13+,17-,20?/m000000/s1.

What are the key properties of (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?

(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 has a molecular weight of 2903.14 g/mol, XLogP of 19.30, 43 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 167701964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).