(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid

C222H241Cl3F4N14O27 — CID 157208836

IUPAC(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid
SMILESCc1c(C)n(Cc2ccc(CCC(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc12.Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)O)c(Cl)c2F)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)O)c(F)c2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)O)c(F)c2F)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2cccc(C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc12.Cc1c(C)n(Cc2cccc(CCC(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12
InChIInChI=1S/2C32H34ClFN2O4.C32H35ClN2O5.C32H34F2N2O4.2C32H36N2O3.C30H32N2O4/c1-17(2)22-8-7-9-23(14-22)19(4)35-31(37)24-10-12-27-26(15-24)18(3)20(5)36(27)16-25-11-13-28(29(33)30(25)34)40-21(6)32(38)39;1-17(2)22-8-7-9-23(14-22)19(4)35-31(37)24-10-12-27-26(15-24)18(3)20(5)36(27)16-25-11-13-28(30(34)29(25)33)40-21(6)32(38)39;1-18(2)39-26-11-8-24(9-12-26)20(4)34-31(36)25-10-14-29-27(16-25)19(3)21(5)35(29)17-23-7-13-28(33)30(15-23)40-22(6)32(37)38;1-17(2)22-8-7-9-23(14-22)19(4)35-31(37)24-10-12-27-26(15-24)18(3)20(5)36(27)16-25-11-13-28(30(34)29(25)33)40-21(6)32(38)39;1-20(2)26-10-7-11-27(17-26)22(4)33-32(37)28-13-14-30-29(18-28)21(3)23(5)34(30)19-25-9-6-8-24(16-25)12-15-31(35)36;1-20(2)26-7-6-8-27(17-26)22(4)33-32(37)28-14-15-30-29(18-28)21(3)23(5)34(30)19-25-11-9-24(10-12-25)13-16-31(35)36;1-18(2)36-26-12-9-23(10-13-26)20(4)31-29(33)24-11-14-28-27(16-24)19(3)21(5)32(28)17-22-7-6-8-25(15-22)30(34)35/h2*7-15,17,19,21H,16H2,1-6H3,(H,35,37)(H,38,39);7-16,18,20,22H,17H2,1-6H3,(H,34,36)(H,37,38);7-15,17,19,21H,16H2,1-6H3,(H,35,37)(H,38,39);6-11,13-14,16-18,20,22H,12,15,19H2,1-5H3,(H,33,37)(H,35,36);6-12,14-15,17-18,20,22H,13,16,19H2,1-5H3,(H,33,37)(H,35,36);6-16,18,20H,17H2,1-5H3,(H,31,33)(H,34,35)/t2*19-,21-;20-,22-;19-,21-;2*22-;20-/m0000000/s1
InChIKeyARQSPOGRROESLR-MKHAPTHDSA-N
MW3719.79 g/mol
LogP49.43
Rot. Bonds63

About (2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid

(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid (PubChem CID 157208836) has the molecular formula C222H241Cl3F4N14O27 and a molecular weight of 3719.79 g/mol. Its IUPAC name is (2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid
PubChem CID157208836
Molecular FormulaC222H241Cl3F4N14O27
Molecular Weight3719.79 g/mol
Exact Mass3715.69
IUPAC Name(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid
SMILESCc1c(C)n(Cc2ccc(CCC(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc12.Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)O)c(Cl)c2F)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)O)c(F)c2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)O)c(F)c2F)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2cccc(C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc12.Cc1c(C)n(Cc2cccc(CCC(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12
InChIInChI=1S/2C32H34ClFN2O4.C32H35ClN2O5.C32H34F2N2O4.2C32H36N2O3.C30H32N2O4/c1-17(2)22-8-7-9-23(14-22)19(4)35-31(37)24-10-12-27-26(15-24)18(3)20(5)36(27)16-25-11-13-28(29(33)30(25)34)40-21(6)32(38)39;1-17(2)22-8-7-9-23(14-22)19(4)35-31(37)24-10-12-27-26(15-24)18(3)20(5)36(27)16-25-11-13-28(30(34)29(25)33)40-21(6)32(38)39;1-18(2)39-26-11-8-24(9-12-26)20(4)34-31(36)25-10-14-29-27(16-25)19(3)21(5)35(29)17-23-7-13-28(33)30(15-23)40-22(6)32(37)38;1-17(2)22-8-7-9-23(14-22)19(4)35-31(37)24-10-12-27-26(15-24)18(3)20(5)36(27)16-25-11-13-28(30(34)29(25)33)40-21(6)32(38)39;1-20(2)26-10-7-11-27(17-26)22(4)33-32(37)28-13-14-30-29(18-28)21(3)23(5)34(30)19-25-9-6-8-24(16-25)12-15-31(35)36;1-20(2)26-7-6-8-27(17-26)22(4)33-32(37)28-14-15-30-29(18-28)21(3)23(5)34(30)19-25-11-9-24(10-12-25)13-16-31(35)36;1-18(2)36-26-12-9-23(10-13-26)20(4)31-29(33)24-11-14-28-27(16-24)19(3)21(5)32(28)17-22-7-6-8-25(15-22)30(34)35/h2*7-15,17,19,21H,16H2,1-6H3,(H,35,37)(H,38,39);7-16,18,20,22H,17H2,1-6H3,(H,34,36)(H,37,38);7-15,17,19,21H,16H2,1-6H3,(H,35,37)(H,38,39);6-11,13-14,16-18,20,22H,12,15,19H2,1-5H3,(H,33,37)(H,35,36);6-12,14-15,17-18,20,22H,13,16,19H2,1-5H3,(H,33,37)(H,35,36);6-16,18,20H,17H2,1-5H3,(H,31,33)(H,34,35)/t2*19-,21-;20-,22-;19-,21-;2*22-;20-/m0000000/s1
InChIKeyARQSPOGRROESLR-MKHAPTHDSA-N
XLogP49.43
TPSA554.69 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds63
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003719.79
LogP ≤ 549.43
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Analyze (2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid with MolForge

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Related Compounds

2-[[2-[2-[[4-[Bis[5-chloro-2,4-bis[2-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethylamino]-2-oxoethoxy]phenyl]methyl]phenyl]-[5-chloro-2,4-bis[2-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethylamino]-2-oxoethoxy]phenyl]methyl]-4-chloro-5-[2-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethylamino]-2-oxoethoxy]phenoxy]acetyl]amino]ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 156019020
(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-fluorophenoxy]propanoic acid
CID 71099731
2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-fluorophenoxy]propanoic acid
CID 71099895
2-[2-Chloro-5-[[2,3-dimethyl-5-[1-(3-propan-2-ylphenyl)ethylcarbamoyl]indol-1-yl]methyl]-4-fluorophenoxy]propanoic acid
CID 78008422
2-[2-cyano-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-isocyanophenoxy]propanoic acid;2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid;2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-5-(trifluoromethyl)phenoxy]propanoic acid;2-[5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid
CID 157101490
(2S)-2-[2-cyano-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-isocyanophenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-5-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid
CID 157101491
CID 157612956
CID 157612956
heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158108496
bis(carbon dioxide);2-[4-[[5-[[(1S)-1-(4-chloro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 158796973
(2S)-2-[2-cyano-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-5-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid
CID 159147183
tris(carbon dioxide);N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 160141104
tris(carbon dioxide);N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-ethyl-2-methoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1R)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 160307194

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid?
The IUPAC name of (2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid (CID 157208836) is (2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid is Cc1c(C)n(Cc2ccc(CCC(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc12.Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)O)c(Cl)c2F)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)O)c(F)c2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)O)c(F)c2F)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2cccc(C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc12.Cc1c(C)n(Cc2cccc(CCC(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.
What is the InChIKey of (2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid?
The InChIKey is ARQSPOGRROESLR-MKHAPTHDSA-N. The full InChI is InChI=1S/2C32H34ClFN2O4.C32H35ClN2O5.C32H34F2N2O4.2C32H36N2O3.C30H32N2O4/c1-17(2)22-8-7-9-23(14-22)19(4)35-31(37)24-10-12-27-26(15-24)18(3)20(5)36(27)16-25-11-13-28(29(33)30(25)34)40-21(6)32(38)39;1-17(2)22-8-7-9-23(14-22)19(4)35-31(37)24-10-12-27-26(15-24)18(3)20(5)36(27)16-25-11-13-28(30(34)29(25)33)40-21(6)32(38)39;1-18(2)39-26-11-8-24(9-12-26)20(4)34-31(36)25-10-14-29-27(16-25)19(3)21(5)35(29)17-23-7-13-28(33)30(15-23)40-22(6)32(37)38;1-17(2)22-8-7-9-23(14-22)19(4)35-31(37)24-10-12-27-26(15-24)18(3)20(5)36(27)16-25-11-13-28(30(34)29(25)33)40-21(6)32(38)39;1-20(2)26-10-7-11-27(17-26)22(4)33-32(37)28-13-14-30-29(18-28)21(3)23(5)34(30)19-25-9-6-8-24(16-25)12-15-31(35)36;1-20(2)26-7-6-8-27(17-26)22(4)33-32(37)28-14-15-30-29(18-28)21(3)23(5)34(30)19-25-11-9-24(10-12-25)13-16-31(35)36;1-18(2)36-26-12-9-23(10-13-26)20(4)31-29(33)24-11-14-28-27(16-24)19(3)21(5)32(28)17-22-7-6-8-25(15-22)30(34)35/h2*7-15,17,19,21H,16H2,1-6H3,(H,35,37)(H,38,39);7-16,18,20,22H,17H2,1-6H3,(H,34,36)(H,37,38);7-15,17,19,21H,16H2,1-6H3,(H,35,37)(H,38,39);6-11,13-14,16-18,20,22H,12,15,19H2,1-5H3,(H,33,37)(H,35,36);6-12,14-15,17-18,20,22H,13,16,19H2,1-5H3,(H,33,37)(H,35,36);6-16,18,20H,17H2,1-5H3,(H,31,33)(H,34,35)/t2*19-,21-;20-,22-;19-,21-;2*22-;20-/m0000000/s1.
What are the key properties of (2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid?
(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid has a molecular weight of 3719.79 g/mol, XLogP of 49.43, 63 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[2-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-3-fluorophenoxy]propanoic acid;(2S)-2-[3-chloro-4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-fluorophenoxy]propanoic acid;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;(2S)-2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2,3-difluorophenoxy]propanoic acid;3-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid;3-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]propanoic acid is sourced from PubChem (CID 157208836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).