(2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid

C176H190Cl7F18N11O30 — CID 159360651

About (2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid

(2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 159360651) has the molecular formula C176H190Cl7F18N11O30 and a molecular weight of 3529.64 g/mol. Its IUPAC name is (2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: (2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
• PubChem CID: 159360651
• Molecular Formula: C176H190Cl7F18N11O30
• Molecular Weight: 3529.64 g/mol
• Exact Mass: 3524.12
• IUPAC Name: (2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
• SMILES: CC(c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc(F)c(C(=O)N3CO[C@H](C)[C@H]3C(=O)O)cc2C2CC2)CC1.C[C@H]1OCN(C(=O)c2cc(C3CC3)c(OCC3(C)CN(C(c4ccccc4)c4cc(Cl)cc(Cl)c4)C3)cc2F)[C@@H]1C(=O)O.C[C@H]1OCN(C(=O)c2cc(C3CC3)c(OCC3(F)CCN(Cc4cc(C(F)(F)F)cc(Cl)c4F)CC3)cc2F)[C@@H]1C(=O)O.C[C@H]1OCN(C(=O)c2cc(C3CC3)c(OCC3CCN(Cc4cc(C(F)(F)F)cc(Cl)c4F)CC3)cc2F)[C@@H]1C(=O)O.C[C@H]1OCN(C(=O)c2cc(C3CC3)c(OCC3CCN(Cc4cc(C(F)(F)F)ccc4Cl)CC3)cc2F)[C@@H]1C(=O)O.C[C@H]1[C@H](O)CN(C(=O)c2cc(C3CC3)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)[C@@H]1C(=O)O
• InChI: InChI=1S/C33H33Cl2FN2O5.C29H33Cl2FN2O5.C29H29ClF6N2O5.C29H30ClF5N2O5.C29H31ClF4N2O5.C27H34FNO5/c1-19-29(32(40)41)38(18-43-19)31(39)26-13-25(20-8-9-20)28(14-27(26)36)42-17-33(2)15-37(16-33)30(21-6-4-3-5-7-21)22-10-23(34)12-24(35)11-22;1-16(20-9-21(30)11-22(31)10-20)33-7-5-18(6-8-33)14-38-26-13-25(32)24(12-23(26)19-3-4-19)28(35)34-15-39-17(2)27(34)29(36)37;1-15-25(27(40)41)38(14-43-15)26(39)20-10-19(16-2-3-16)23(11-22(20)31)42-13-28(33)4-6-37(7-5-28)12-17-8-18(29(34,35)36)9-21(30)24(17)32;1-15-26(28(39)40)37(14-42-15)27(38)21-10-20(17-2-3-17)24(11-23(21)31)41-13-16-4-6-36(7-5-16)12-18-8-19(29(33,34)35)9-22(30)25(18)32;1-16-26(28(38)39)36(15-41-16)27(37)22-11-21(18-2-3-18)25(12-24(22)31)40-14-17-6-8-35(9-7-17)13-19-10-20(29(32,33)34)4-5-23(19)30;1-14-22(30)12-29(24(14)26(32)33)25(31)20-7-19(18-2-3-18)23(8-21(20)28)34-13-27-9-15-4-16(10-27)6-17(5-15)11-27/h3-7,10-14,19-20,29-30H,8-9,15-18H2,1-2H3,(H,40,41);9-13,16-19,27H,3-8,14-15H2,1-2H3,(H,36,37);8-11,15-16,25H,2-7,12-14H2,1H3,(H,40,41);8-11,15-17,26H,2-7,12-14H2,1H3,(H,39,40);4-5,10-12,16-18,26H,2-3,6-9,13-15H2,1H3,(H,38,39);7-8,14-18,22,24,30H,2-6,9-13H2,1H3,(H,32,33)/t19-,29+,30?;16?,17-,27+;15-,25+;15-,26+;16-,26+;14-,15?,16?,17?,22+,24-,27?/m111110/s1
• InChIKey: LIMMKSHQVYVXLG-QQZCNWRUSA-N
• XLogP: 35.29
• TPSA: 483.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 47
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3529.64
LogP ≤ 5	35.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid?

The IUPAC name of (2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid (CID 159360651) is (2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid.

What is the SMILES notation for (2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid?

The canonical SMILES for (2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid is CC(c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc(F)c(C(=O)N3CO[C@H](C)[C@H]3C(=O)O)cc2C2CC2)CC1.C[C@H]1OCN(C(=O)c2cc(C3CC3)c(OCC3(C)CN(C(c4ccccc4)c4cc(Cl)cc(Cl)c4)C3)cc2F)[C@@H]1C(=O)O.C[C@H]1OCN(C(=O)c2cc(C3CC3)c(OCC3(F)CCN(Cc4cc(C(F)(F)F)cc(Cl)c4F)CC3)cc2F)[C@@H]1C(=O)O.C[C@H]1OCN(C(=O)c2cc(C3CC3)c(OCC3CCN(Cc4cc(C(F)(F)F)cc(Cl)c4F)CC3)cc2F)[C@@H]1C(=O)O.C[C@H]1OCN(C(=O)c2cc(C3CC3)c(OCC3CCN(Cc4cc(C(F)(F)F)ccc4Cl)CC3)cc2F)[C@@H]1C(=O)O.C[C@H]1[C@H](O)CN(C(=O)c2cc(C3CC3)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)[C@@H]1C(=O)O.

What is the InChIKey of (2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid?

The InChIKey is LIMMKSHQVYVXLG-QQZCNWRUSA-N. The full InChI is InChI=1S/C33H33Cl2FN2O5.C29H33Cl2FN2O5.C29H29ClF6N2O5.C29H30ClF5N2O5.C29H31ClF4N2O5.C27H34FNO5/c1-19-29(32(40)41)38(18-43-19)31(39)26-13-25(20-8-9-20)28(14-27(26)36)42-17-33(2)15-37(16-33)30(21-6-4-3-5-7-21)22-10-23(34)12-24(35)11-22;1-16(20-9-21(30)11-22(31)10-20)33-7-5-18(6-8-33)14-38-26-13-25(32)24(12-23(26)19-3-4-19)28(35)34-15-39-17(2)27(34)29(36)37;1-15-25(27(40)41)38(14-43-15)26(39)20-10-19(16-2-3-16)23(11-22(20)31)42-13-28(33)4-6-37(7-5-28)12-17-8-18(29(34,35)36)9-21(30)24(17)32;1-15-26(28(39)40)37(14-42-15)27(38)21-10-20(17-2-3-17)24(11-23(21)31)41-13-16-4-6-36(7-5-16)12-18-8-19(29(33,34)35)9-22(30)25(18)32;1-16-26(28(38)39)36(15-41-16)27(37)22-11-21(18-2-3-18)25(12-24(22)31)40-14-17-6-8-35(9-7-17)13-19-10-20(29(32,33)34)4-5-23(19)30;1-14-22(30)12-29(24(14)26(32)33)25(31)20-7-19(18-2-3-18)23(8-21(20)28)34-13-27-9-15-4-16(10-27)6-17(5-15)11-27/h3-7,10-14,19-20,29-30H,8-9,15-18H2,1-2H3,(H,40,41);9-13,16-19,27H,3-8,14-15H2,1-2H3,(H,36,37);8-11,15-16,25H,2-7,12-14H2,1H3,(H,40,41);8-11,15-17,26H,2-7,12-14H2,1H3,(H,39,40);4-5,10-12,16-18,26H,2-3,6-9,13-15H2,1H3,(H,38,39);7-8,14-18,22,24,30H,2-6,9-13H2,1H3,(H,32,33)/t19-,29+,30?;16?,17-,27+;15-,25+;15-,26+;16-,26+;14-,15?,16?,17?,22+,24-,27?/m111110/s1.

What are the key properties of (2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid?

(2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 3529.64 g/mol, XLogP of 35.29, 47 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid;(4S,5R)-3-[5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methylazetidin-3-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 159360651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).