1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide

C223H245ClN22O26 — CID 160810293

IUPAC1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide
SMILESCC1=C(C)C(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc21.Cc1c(C)n(Cc2ccc(C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)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(O[C@@H](C)C(N)=O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)c3n[nH]c(=O)o3)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)c3nn[nH]n3)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)c3noc(=O)[nH]3)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12
InChIInChI=1S/C33H36ClNO5.2C33H36N4O4.C32H36N6O2.C32H37N3O3.2C30H32N2O4/c1-18(2)39-26-11-8-24(9-12-26)21(5)35-32(36)25-10-13-27-28(19(3)20(4)29(27)17-25)15-23-7-14-30(34)31(16-23)40-22(6)33(37)38;1-19(2)25-10-8-11-26(16-25)21(4)34-31(38)27-13-14-30-29(17-27)20(3)22(5)37(30)18-24-9-7-12-28(15-24)40-23(6)32-35-36-33(39)41-32;1-19(2)25-10-8-11-26(16-25)21(4)34-32(38)27-13-14-30-29(17-27)20(3)22(5)37(30)18-24-9-7-12-28(15-24)40-23(6)31-35-33(39)41-36-31;1-19(2)25-10-8-11-26(16-25)21(4)33-32(39)27-13-14-30-29(17-27)20(3)22(5)38(30)18-24-9-7-12-28(15-24)40-23(6)31-34-36-37-35-31;1-19(2)25-10-8-11-26(16-25)21(4)34-32(37)27-13-14-30-29(17-27)20(3)22(5)35(30)18-24-9-7-12-28(15-24)38-23(6)31(33)36;1-18(2)36-26-13-10-23(11-14-26)20(4)31-29(33)25-12-15-28-27(16-25)19(3)21(5)32(28)17-22-6-8-24(9-7-22)30(34)35;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/h7-14,16-18,21-22,28H,15H2,1-6H3,(H,35,36)(H,37,38);7-17,19,21,23H,18H2,1-6H3,(H,34,38)(H,36,39);7-17,19,21,23H,18H2,1-6H3,(H,34,38)(H,35,36,39);7-17,19,21,23H,18H2,1-6H3,(H,33,39)(H,34,35,36,37);7-17,19,21,23H,18H2,1-6H3,(H2,33,36)(H,34,37);2*6-16,18,20H,17H2,1-5H3,(H,31,33)(H,34,35)/t21-,22-,28?;4*21-,23-;2*20-/m0000000/s1
InChIKeySEFOTCCZDZFJKQ-HGAZZQFXSA-N
MW3684.99 g/mol
LogP46.39
Rot. Bonds62

About 1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide

1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide (PubChem CID 160810293) has the molecular formula C223H245ClN22O26 and a molecular weight of 3684.99 g/mol. Its IUPAC name is 1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide
PubChem CID160810293
Molecular FormulaC223H245ClN22O26
Molecular Weight3684.99 g/mol
Exact Mass3681.82
IUPAC Name1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide
SMILESCC1=C(C)C(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc21.Cc1c(C)n(Cc2ccc(C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)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(O[C@@H](C)C(N)=O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)c3n[nH]c(=O)o3)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)c3nn[nH]n3)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)c3noc(=O)[nH]3)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12
InChIInChI=1S/C33H36ClNO5.2C33H36N4O4.C32H36N6O2.C32H37N3O3.2C30H32N2O4/c1-18(2)39-26-11-8-24(9-12-26)21(5)35-32(36)25-10-13-27-28(19(3)20(4)29(27)17-25)15-23-7-14-30(34)31(16-23)40-22(6)33(37)38;1-19(2)25-10-8-11-26(16-25)21(4)34-31(38)27-13-14-30-29(17-27)20(3)22(5)37(30)18-24-9-7-12-28(15-24)40-23(6)32-35-36-33(39)41-32;1-19(2)25-10-8-11-26(16-25)21(4)34-32(38)27-13-14-30-29(17-27)20(3)22(5)37(30)18-24-9-7-12-28(15-24)40-23(6)31-35-33(39)41-36-31;1-19(2)25-10-8-11-26(16-25)21(4)33-32(39)27-13-14-30-29(17-27)20(3)22(5)38(30)18-24-9-7-12-28(15-24)40-23(6)31-34-36-37-35-31;1-19(2)25-10-8-11-26(16-25)21(4)34-32(37)27-13-14-30-29(17-27)20(3)22(5)35(30)18-24-9-7-12-28(15-24)38-23(6)31(33)36;1-18(2)36-26-13-10-23(11-14-26)20(4)31-29(33)25-12-15-28-27(16-25)19(3)21(5)32(28)17-22-6-8-24(9-7-22)30(34)35;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/h7-14,16-18,21-22,28H,15H2,1-6H3,(H,35,36)(H,37,38);7-17,19,21,23H,18H2,1-6H3,(H,34,38)(H,36,39);7-17,19,21,23H,18H2,1-6H3,(H,34,38)(H,35,36,39);7-17,19,21,23H,18H2,1-6H3,(H,33,39)(H,34,35,36,37);7-17,19,21,23H,18H2,1-6H3,(H2,33,36)(H,34,37);2*6-16,18,20H,17H2,1-5H3,(H,31,33)(H,34,35)/t21-,22-,28?;4*21-,23-;2*20-/m0000000/s1
InChIKeySEFOTCCZDZFJKQ-HGAZZQFXSA-N
XLogP46.39
TPSA634.35 Ų
H-Bond Donors14
H-Bond Acceptors34
Rotatable Bonds62
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003684.99
LogP ≤ 546.39
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1034

Analyze 1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide?
The IUPAC name of 1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide (CID 160810293) is 1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide.
What is the SMILES notation for 1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide?
The canonical SMILES for 1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide is CC1=C(C)C(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc21.Cc1c(C)n(Cc2ccc(C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)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(O[C@@H](C)C(N)=O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)c3n[nH]c(=O)o3)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)c3nn[nH]n3)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2cccc(O[C@@H](C)c3noc(=O)[nH]3)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.
What is the InChIKey of 1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide?
The InChIKey is SEFOTCCZDZFJKQ-HGAZZQFXSA-N. The full InChI is InChI=1S/C33H36ClNO5.2C33H36N4O4.C32H36N6O2.C32H37N3O3.2C30H32N2O4/c1-18(2)39-26-11-8-24(9-12-26)21(5)35-32(36)25-10-13-27-28(19(3)20(4)29(27)17-25)15-23-7-14-30(34)31(16-23)40-22(6)33(37)38;1-19(2)25-10-8-11-26(16-25)21(4)34-31(38)27-13-14-30-29(17-27)20(3)22(5)37(30)18-24-9-7-12-28(15-24)40-23(6)32-35-36-33(39)41-32;1-19(2)25-10-8-11-26(16-25)21(4)34-32(38)27-13-14-30-29(17-27)20(3)22(5)37(30)18-24-9-7-12-28(15-24)40-23(6)31-35-33(39)41-36-31;1-19(2)25-10-8-11-26(16-25)21(4)33-32(39)27-13-14-30-29(17-27)20(3)22(5)38(30)18-24-9-7-12-28(15-24)40-23(6)31-34-36-37-35-31;1-19(2)25-10-8-11-26(16-25)21(4)34-32(37)27-13-14-30-29(17-27)20(3)22(5)35(30)18-24-9-7-12-28(15-24)38-23(6)31(33)36;1-18(2)36-26-13-10-23(11-14-26)20(4)31-29(33)25-12-15-28-27(16-25)19(3)21(5)32(28)17-22-6-8-24(9-7-22)30(34)35;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/h7-14,16-18,21-22,28H,15H2,1-6H3,(H,35,36)(H,37,38);7-17,19,21,23H,18H2,1-6H3,(H,34,38)(H,36,39);7-17,19,21,23H,18H2,1-6H3,(H,34,38)(H,35,36,39);7-17,19,21,23H,18H2,1-6H3,(H,33,39)(H,34,35,36,37);7-17,19,21,23H,18H2,1-6H3,(H2,33,36)(H,34,37);2*6-16,18,20H,17H2,1-5H3,(H,31,33)(H,34,35)/t21-,22-,28?;4*21-,23-;2*20-/m0000000/s1.
What are the key properties of 1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide?
1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide has a molecular weight of 3684.99 g/mol, XLogP of 46.39, 62 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2S)-1-amino-1-oxopropan-2-yl]oxyphenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;(2S)-2-[2-chloro-5-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]-1H-inden-1-yl]methyl]phenoxy]propanoic acid;2,3-dimethyl-1-[[3-[(1S)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[3-[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethoxy]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;3-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;4-[[2,3-dimethyl-5-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[3-[(1S)-1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]indole-5-carboxamide is sourced from PubChem (CID 160810293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).