(2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid

C173H187Cl7F18N12O31 — CID 157376083

About (2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid

(2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid (PubChem CID 157376083) has the molecular formula C173H187Cl7F18N12O31 and a molecular weight of 3520.59 g/mol. Its IUPAC name is (2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 157376083
• Molecular Formula: C173H187Cl7F18N12O31
• Molecular Weight: 3520.59 g/mol
• Exact Mass: 3515.10
• IUPAC Name: (2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid
• SMILES: CC(C)COc1ncc(Oc2cc(F)c(C(=O)N[C@H](C(=O)O)C(C)C)cc2Cl)cc1Cl.CC(C)[C@@H](C(=O)O)N(C)C(=O)c1cc(C2CC2)c(COc2cc(Cl)cc(OC(F)(F)F)c2)cc1F.CCC(C)[C@H](NC(=O)c1cc(Cl)c(Oc2cnc(OCC(C)C)c(Cl)c2)cc1F)C(=O)O.NC(=O)[C@@H]1CCCN1C(=O)c1cc(C2CC2)c(COc2cc(Cl)cc(OC(F)(F)F)c2)cc1F.NC(=O)[C@@H]1CCCN1C(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)cc(Cl)c3)CC2)cc1F.O=C(C[C@@H](CC1CC1)C(=O)O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1CCCN1C(=O)c1cc(C2CC2)c(COc2cnc(OCC(F)(F)C(F)F)c(C3CC3)c2)cc1F
• InChI: InChI=1S/C28H32ClF2N3O3.C28H35FO4.C27H27F5N2O5.C24H24ClF4NO5.C23H21ClF4N2O4.C22H25Cl2FN2O5.C21H23Cl2FN2O5/c29-20-10-18(11-21(30)12-20)15-33-8-5-17(6-9-33)16-37-26-14-24(31)23(13-22(26)19-3-4-19)28(36)34-7-1-2-25(34)27(32)35;29-24-11-26(33-15-28-12-17-5-18(13-28)7-19(6-17)14-28)22(20-3-4-20)10-23(24)25(30)9-21(27(31)32)8-16-1-2-16;28-21-8-16(18(14-3-4-14)10-20(21)24(35)34-7-1-2-22(34)25(36)37)12-38-17-9-19(15-5-6-15)23(33-11-17)39-13-27(31,32)26(29)30;1-12(2)21(23(32)33)30(3)22(31)19-10-18(13-4-5-13)14(6-20(19)26)11-34-16-7-15(25)8-17(9-16)35-24(27,28)29;24-14-7-15(9-16(8-14)34-23(26,27)28)33-11-13-6-19(25)18(10-17(13)12-3-4-12)22(32)30-5-1-2-20(30)21(29)31;1-5-12(4)19(22(29)30)27-20(28)14-7-15(23)18(8-17(14)25)32-13-6-16(24)21(26-9-13)31-10-11(2)3;1-10(2)9-30-20-15(23)5-12(8-25-20)31-17-7-16(24)13(6-14(17)22)19(27)26-18(11(3)4)21(28)29/h10-14,17,19,25H,1-9,15-16H2,(H2,32,35);10-11,16-21H,1-9,12-15H2,(H,31,32);8-11,14-15,22,26H,1-7,12-13H2,(H,36,37);6-10,12-13,21H,4-5,11H2,1-3H3,(H,32,33);6-10,12,20H,1-5,11H2,(H2,29,31);6-9,11-12,19H,5,10H2,1-4H3,(H,27,28)(H,29,30);5-8,10-11,18H,9H2,1-4H3,(H,26,27)(H,28,29)/t25-;17?,18?,19?,21-,28?;22-;21-;20-;12?,19-;18-/m0100000/s1
• InChIKey: BKIMRPWVFMPJNH-CXFJHKCBSA-N
• XLogP: 38.49
• TPSA: 581.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 64
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3520.59
LogP ≤ 5	38.49
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid?

The IUPAC name of (2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid (CID 157376083) is (2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid.

What is the SMILES notation for (2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid?

The canonical SMILES for (2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid is CC(C)COc1ncc(Oc2cc(F)c(C(=O)N[C@H](C(=O)O)C(C)C)cc2Cl)cc1Cl.CC(C)[C@@H](C(=O)O)N(C)C(=O)c1cc(C2CC2)c(COc2cc(Cl)cc(OC(F)(F)F)c2)cc1F.CCC(C)[C@H](NC(=O)c1cc(Cl)c(Oc2cnc(OCC(C)C)c(Cl)c2)cc1F)C(=O)O.NC(=O)[C@@H]1CCCN1C(=O)c1cc(C2CC2)c(COc2cc(Cl)cc(OC(F)(F)F)c2)cc1F.NC(=O)[C@@H]1CCCN1C(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)cc(Cl)c3)CC2)cc1F.O=C(C[C@@H](CC1CC1)C(=O)O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1CCCN1C(=O)c1cc(C2CC2)c(COc2cnc(OCC(F)(F)C(F)F)c(C3CC3)c2)cc1F.

What is the InChIKey of (2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid?

The InChIKey is BKIMRPWVFMPJNH-CXFJHKCBSA-N. The full InChI is InChI=1S/C28H32ClF2N3O3.C28H35FO4.C27H27F5N2O5.C24H24ClF4NO5.C23H21ClF4N2O4.C22H25Cl2FN2O5.C21H23Cl2FN2O5/c29-20-10-18(11-21(30)12-20)15-33-8-5-17(6-9-33)16-37-26-14-24(31)23(13-22(26)19-3-4-19)28(36)34-7-1-2-25(34)27(32)35;29-24-11-26(33-15-28-12-17-5-18(13-28)7-19(6-17)14-28)22(20-3-4-20)10-23(24)25(30)9-21(27(31)32)8-16-1-2-16;28-21-8-16(18(14-3-4-14)10-20(21)24(35)34-7-1-2-22(34)25(36)37)12-38-17-9-19(15-5-6-15)23(33-11-17)39-13-27(31,32)26(29)30;1-12(2)21(23(32)33)30(3)22(31)19-10-18(13-4-5-13)14(6-20(19)26)11-34-16-7-15(25)8-17(9-16)35-24(27,28)29;24-14-7-15(9-16(8-14)34-23(26,27)28)33-11-13-6-19(25)18(10-17(13)12-3-4-12)22(32)30-5-1-2-20(30)21(29)31;1-5-12(4)19(22(29)30)27-20(28)14-7-15(23)18(8-17(14)25)32-13-6-16(24)21(26-9-13)31-10-11(2)3;1-10(2)9-30-20-15(23)5-12(8-25-20)31-17-7-16(24)13(6-14(17)22)19(27)26-18(11(3)4)21(28)29/h10-14,17,19,25H,1-9,15-16H2,(H2,32,35);10-11,16-21H,1-9,12-15H2,(H,31,32);8-11,14-15,22,26H,1-7,12-13H2,(H,36,37);6-10,12-13,21H,4-5,11H2,1-3H3,(H,32,33);6-10,12,20H,1-5,11H2,(H2,29,31);6-9,11-12,19H,5,10H2,1-4H3,(H,27,28)(H,29,30);5-8,10-11,18H,9H2,1-4H3,(H,26,27)(H,28,29)/t25-;17?,18?,19?,21-,28?;22-;21-;20-;12?,19-;18-/m0100000/s1.

What are the key properties of (2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid?

(2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 3520.59 g/mol, XLogP of 38.49, 64 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-(cyclopropylmethyl)-4-oxobutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid;(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid;(2S)-1-[4-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-2-[[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]-methylamino]-3-methylbutanoic acid;(2S)-1-[4-[[3-chloro-5-(trifluoromethoxy)phenoxy]methyl]-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxamide;(2S)-1-[5-cyclopropyl-4-[[5-cyclopropyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxymethyl]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 157376083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).