N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide

C284H327F18N31O36S4 — CID 163891748

IUPACN-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide
SMILESC[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)C1CC2(C1)CC(F)(F)C2)c1nc2ccccc2o1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CCCC(F)(F)F)c1nc2ccccc2n1C.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CCCC(F)(F)F)c1nc2ccccc2o1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CCCC(F)(F)F)c1nc2ccccc2s1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@H]1c1ccccc1)NC(=O)C1CC2(COC2)C1)c1nc2c(F)cccc2[nH]1.C[C@H](NC(=O)[C@@H](CC(=O)CCc1ccc(F)cc1)[C@@H](C)O)C1=Nc2c(F)cccc2C1.Cc1ccc(S(=O)(=O)C[C@@H](CC(=O)NC(C)(C)C)C(=O)NC2(C3=Nc4c(F)cccc4C3)CC2)cc1.Cc1ccc(S(=O)(=O)C[C@@H](CCC(=O)NC(C)(C)C)C(=O)NC2(C3=Nc4c(F)cccc4C3)CC2)cc1.Cc1ccc(S(=O)(=O)C[C@H](C(=O)N[C@@H](C)C2=Nc3cccc(C)c3C2)[C@@H](C)O)cc1.Cc1cccc2[nH]c(C3(CC(=O)[C@H](CC(=O)N4CCCC4C4CC4)NC(=O)C4CC5(C4)CC(F)(F)C5)CC3)nc12
InChIInChI=1S/C32H35F2N3O4.C31H38F2N4O3.C31H35FN4O4.C30H35F3N4O3.C29H32F3N3O4.C29H32F3N3O3S.C28H34FN3O4S.C27H32FN3O4S.C24H26F2N2O3.C23H28N2O4S/c1-20(30-36-23-10-5-6-12-27(23)41-30)14-26(38)24(35-29(40)22-16-31(17-22)18-32(33,34)19-31)15-28(39)37-13-7-11-25(37)21-8-3-2-4-9-21;1-18-4-2-5-21-26(18)36-28(35-21)30(9-10-30)15-24(38)22(12-25(39)37-11-3-6-23(37)19-7-8-19)34-27(40)20-13-29(14-20)16-31(32,33)17-29;1-19(29-33-23-10-5-9-22(32)28(23)35-29)13-26(37)24(34-30(39)21-15-31(16-21)17-40-18-31)14-27(38)36-12-6-11-25(36)20-7-3-2-4-8-20;1-20(29-35-22-12-6-7-13-25(22)36(29)2)18-26(38)23(34-27(39)15-8-16-30(31,32)33)19-28(40)37-17-9-14-24(37)21-10-4-3-5-11-21;2*1-19(28-34-21-11-5-6-13-25(21)39-28)17-24(36)22(33-26(37)14-7-15-29(30,31)32)18-27(38)35-16-8-12-23(35)20-9-3-2-4-10-20;1-18-8-11-21(12-9-18)37(35,36)17-20(10-13-24(33)31-27(2,3)4)26(34)32-28(14-15-28)23-16-19-6-5-7-22(29)25(19)30-23;1-17-8-10-20(11-9-17)36(34,35)16-19(15-23(32)30-26(2,3)4)25(33)31-27(12-13-27)22-14-18-6-5-7-21(28)24(18)29-22;1-14(22-12-17-4-3-5-21(26)23(17)28-22)27-24(31)20(15(2)29)13-19(30)11-8-16-6-9-18(25)10-7-16;1-14-8-10-18(11-9-14)30(28,29)13-20(17(4)26)23(27)24-16(3)22-12-19-15(2)6-5-7-21(19)25-22/h2-6,8-10,12,20,22,24-25H,7,11,13-19H2,1H3,(H,35,40);2,4-5,19-20,22-23H,3,6-17H2,1H3,(H,34,40)(H,35,36);2-5,7-10,19,21,24-25H,6,11-18H2,1H3,(H,33,35)(H,34,39);3-7,10-13,20,23-24H,8-9,14-19H2,1-2H3,(H,34,39);2*2-6,9-11,13,19,22-23H,7-8,12,14-18H2,1H3,(H,33,37);5-9,11-12,20H,10,13-17H2,1-4H3,(H,31,33)(H,32,34);5-11,19H,12-16H2,1-4H3,(H,30,32)(H,31,33);3-7,9-10,14-15,20,29H,8,11-13H2,1-2H3,(H,27,31);5-11,16-17,20,26H,12-13H2,1-4H3,(H,24,27)/t20-,24+,25-;22-,23?;19-,24+,25+;20-,23+,24-;2*19-,22+,23-;20-;19-;14-,15+,20-;16-,17+,20-/m1011111100/s1
InChIKeyQCCXFNRZNCDLQN-VZECBTOASA-N
MW5221.15 g/mol
LogP47.74
Rot. Bonds93

About N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide

N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide (PubChem CID 163891748) has the molecular formula C284H327F18N31O36S4 and a molecular weight of 5221.15 g/mol. Its IUPAC name is N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide.

Molecular Properties

Compound NameN-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide
PubChem CID163891748
Molecular FormulaC284H327F18N31O36S4
Molecular Weight5221.15 g/mol
Exact Mass5217.33
IUPAC NameN-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide
SMILESC[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)C1CC2(C1)CC(F)(F)C2)c1nc2ccccc2o1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CCCC(F)(F)F)c1nc2ccccc2n1C.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CCCC(F)(F)F)c1nc2ccccc2o1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CCCC(F)(F)F)c1nc2ccccc2s1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@H]1c1ccccc1)NC(=O)C1CC2(COC2)C1)c1nc2c(F)cccc2[nH]1.C[C@H](NC(=O)[C@@H](CC(=O)CCc1ccc(F)cc1)[C@@H](C)O)C1=Nc2c(F)cccc2C1.Cc1ccc(S(=O)(=O)C[C@@H](CC(=O)NC(C)(C)C)C(=O)NC2(C3=Nc4c(F)cccc4C3)CC2)cc1.Cc1ccc(S(=O)(=O)C[C@@H](CCC(=O)NC(C)(C)C)C(=O)NC2(C3=Nc4c(F)cccc4C3)CC2)cc1.Cc1ccc(S(=O)(=O)C[C@H](C(=O)N[C@@H](C)C2=Nc3cccc(C)c3C2)[C@@H](C)O)cc1.Cc1cccc2[nH]c(C3(CC(=O)[C@H](CC(=O)N4CCCC4C4CC4)NC(=O)C4CC5(C4)CC(F)(F)C5)CC3)nc12
InChIInChI=1S/C32H35F2N3O4.C31H38F2N4O3.C31H35FN4O4.C30H35F3N4O3.C29H32F3N3O4.C29H32F3N3O3S.C28H34FN3O4S.C27H32FN3O4S.C24H26F2N2O3.C23H28N2O4S/c1-20(30-36-23-10-5-6-12-27(23)41-30)14-26(38)24(35-29(40)22-16-31(17-22)18-32(33,34)19-31)15-28(39)37-13-7-11-25(37)21-8-3-2-4-9-21;1-18-4-2-5-21-26(18)36-28(35-21)30(9-10-30)15-24(38)22(12-25(39)37-11-3-6-23(37)19-7-8-19)34-27(40)20-13-29(14-20)16-31(32,33)17-29;1-19(29-33-23-10-5-9-22(32)28(23)35-29)13-26(37)24(34-30(39)21-15-31(16-21)17-40-18-31)14-27(38)36-12-6-11-25(36)20-7-3-2-4-8-20;1-20(29-35-22-12-6-7-13-25(22)36(29)2)18-26(38)23(34-27(39)15-8-16-30(31,32)33)19-28(40)37-17-9-14-24(37)21-10-4-3-5-11-21;2*1-19(28-34-21-11-5-6-13-25(21)39-28)17-24(36)22(33-26(37)14-7-15-29(30,31)32)18-27(38)35-16-8-12-23(35)20-9-3-2-4-10-20;1-18-8-11-21(12-9-18)37(35,36)17-20(10-13-24(33)31-27(2,3)4)26(34)32-28(14-15-28)23-16-19-6-5-7-22(29)25(19)30-23;1-17-8-10-20(11-9-17)36(34,35)16-19(15-23(32)30-26(2,3)4)25(33)31-27(12-13-27)22-14-18-6-5-7-21(28)24(18)29-22;1-14(22-12-17-4-3-5-21(26)23(17)28-22)27-24(31)20(15(2)29)13-19(30)11-8-16-6-9-18(25)10-7-16;1-14-8-10-18(11-9-14)30(28,29)13-20(17(4)26)23(27)24-16(3)22-12-19-15(2)6-5-7-21(19)25-22/h2-6,8-10,12,20,22,24-25H,7,11,13-19H2,1H3,(H,35,40);2,4-5,19-20,22-23H,3,6-17H2,1H3,(H,34,40)(H,35,36);2-5,7-10,19,21,24-25H,6,11-18H2,1H3,(H,33,35)(H,34,39);3-7,10-13,20,23-24H,8-9,14-19H2,1-2H3,(H,34,39);2*2-6,9-11,13,19,22-23H,7-8,12,14-18H2,1H3,(H,33,37);5-9,11-12,20H,10,13-17H2,1-4H3,(H,31,33)(H,32,34);5-11,19H,12-16H2,1-4H3,(H,30,32)(H,31,33);3-7,9-10,14-15,20,29H,8,11-13H2,1-2H3,(H,27,31);5-11,16-17,20,26H,12-13H2,1-4H3,(H,24,27)/t20-,24+,25-;22-,23?;19-,24+,25+;20-,23+,24-;2*19-,22+,23-;20-;19-;14-,15+,20-;16-,17+,20-/m1011111100/s1
InChIKeyQCCXFNRZNCDLQN-VZECBTOASA-N
XLogP47.74
TPSA932.23 Ų
H-Bond Donors16
H-Bond Acceptors48
Rotatable Bonds93
Heavy Atoms373
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005221.15
LogP ≤ 547.74
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1048

Analyze N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide with MolForge

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Related Compounds

CID 161084615
CID 161084615
N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide
CID 162165681
N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide
CID 162239141
N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide;(2S)-N'-tert-butyl-N-[1-(4-fluoro-1H-benzimidazol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide;(2S,3R)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-hydroxybutanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 163603880
N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide
CID 163999082
(2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-[(dimethylamino)methyl]-3-methyl-1H-benzimidazol-3-ium-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-N,4-dimethyl-5-(6-sulfamoyl-1H-benzimidazol-2-yl)pentanamide
CID 157439641
(2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-N,4-dimethyl-5-(6-sulfamoyl-1H-benzimidazol-2-yl)pentanamide
CID 158237383

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide?
The IUPAC name of N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide (CID 163891748) is N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide.
What is the SMILES notation for N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide?
The canonical SMILES for N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide is C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)C1CC2(C1)CC(F)(F)C2)c1nc2ccccc2o1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CCCC(F)(F)F)c1nc2ccccc2n1C.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CCCC(F)(F)F)c1nc2ccccc2o1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CCCC(F)(F)F)c1nc2ccccc2s1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@H]1c1ccccc1)NC(=O)C1CC2(COC2)C1)c1nc2c(F)cccc2[nH]1.C[C@H](NC(=O)[C@@H](CC(=O)CCc1ccc(F)cc1)[C@@H](C)O)C1=Nc2c(F)cccc2C1.Cc1ccc(S(=O)(=O)C[C@@H](CC(=O)NC(C)(C)C)C(=O)NC2(C3=Nc4c(F)cccc4C3)CC2)cc1.Cc1ccc(S(=O)(=O)C[C@@H](CCC(=O)NC(C)(C)C)C(=O)NC2(C3=Nc4c(F)cccc4C3)CC2)cc1.Cc1ccc(S(=O)(=O)C[C@H](C(=O)N[C@@H](C)C2=Nc3cccc(C)c3C2)[C@@H](C)O)cc1.Cc1cccc2[nH]c(C3(CC(=O)[C@H](CC(=O)N4CCCC4C4CC4)NC(=O)C4CC5(C4)CC(F)(F)C5)CC3)nc12.
What is the InChIKey of N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide?
The InChIKey is QCCXFNRZNCDLQN-VZECBTOASA-N. The full InChI is InChI=1S/C32H35F2N3O4.C31H38F2N4O3.C31H35FN4O4.C30H35F3N4O3.C29H32F3N3O4.C29H32F3N3O3S.C28H34FN3O4S.C27H32FN3O4S.C24H26F2N2O3.C23H28N2O4S/c1-20(30-36-23-10-5-6-12-27(23)41-30)14-26(38)24(35-29(40)22-16-31(17-22)18-32(33,34)19-31)15-28(39)37-13-7-11-25(37)21-8-3-2-4-9-21;1-18-4-2-5-21-26(18)36-28(35-21)30(9-10-30)15-24(38)22(12-25(39)37-11-3-6-23(37)19-7-8-19)34-27(40)20-13-29(14-20)16-31(32,33)17-29;1-19(29-33-23-10-5-9-22(32)28(23)35-29)13-26(37)24(34-30(39)21-15-31(16-21)17-40-18-31)14-27(38)36-12-6-11-25(36)20-7-3-2-4-8-20;1-20(29-35-22-12-6-7-13-25(22)36(29)2)18-26(38)23(34-27(39)15-8-16-30(31,32)33)19-28(40)37-17-9-14-24(37)21-10-4-3-5-11-21;2*1-19(28-34-21-11-5-6-13-25(21)39-28)17-24(36)22(33-26(37)14-7-15-29(30,31)32)18-27(38)35-16-8-12-23(35)20-9-3-2-4-10-20;1-18-8-11-21(12-9-18)37(35,36)17-20(10-13-24(33)31-27(2,3)4)26(34)32-28(14-15-28)23-16-19-6-5-7-22(29)25(19)30-23;1-17-8-10-20(11-9-17)36(34,35)16-19(15-23(32)30-26(2,3)4)25(33)31-27(12-13-27)22-14-18-6-5-7-21(28)24(18)29-22;1-14(22-12-17-4-3-5-21(26)23(17)28-22)27-24(31)20(15(2)29)13-19(30)11-8-16-6-9-18(25)10-7-16;1-14-8-10-18(11-9-14)30(28,29)13-20(17(4)26)23(27)24-16(3)22-12-19-15(2)6-5-7-21(19)25-22/h2-6,8-10,12,20,22,24-25H,7,11,13-19H2,1H3,(H,35,40);2,4-5,19-20,22-23H,3,6-17H2,1H3,(H,34,40)(H,35,36);2-5,7-10,19,21,24-25H,6,11-18H2,1H3,(H,33,35)(H,34,39);3-7,10-13,20,23-24H,8-9,14-19H2,1-2H3,(H,34,39);2*2-6,9-11,13,19,22-23H,7-8,12,14-18H2,1H3,(H,33,37);5-9,11-12,20H,10,13-17H2,1-4H3,(H,31,33)(H,32,34);5-11,19H,12-16H2,1-4H3,(H,30,32)(H,31,33);3-7,9-10,14-15,20,29H,8,11-13H2,1-2H3,(H,27,31);5-11,16-17,20,26H,12-13H2,1-4H3,(H,24,27)/t20-,24+,25-;22-,23?;19-,24+,25+;20-,23+,24-;2*19-,22+,23-;20-;19-;14-,15+,20-;16-,17+,20-/m1011111100/s1.
What are the key properties of N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide?
N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide has a molecular weight of 5221.15 g/mol, XLogP of 47.74, 93 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-6-(1,3-benzothiazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(1,3-benzoxazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5,5,5-trifluoropentanamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]butanediamide;(2S)-N'-tert-butyl-N-[1-(7-fluoro-3H-indol-2-yl)cyclopropyl]-2-[(4-methylphenyl)sulfonylmethyl]pentanediamide;N-[(3S)-1-(2-cyclopropylpyrrolidin-1-yl)-5-[1-(4-methyl-1H-benzimidazol-2-yl)cyclopropyl]-1,4-dioxopentan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2S)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-oxaspiro[3.3]heptane-6-carboxamide;(2S)-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-6-(4-fluorophenyl)-2-[(1R)-1-hydroxyethyl]-4-oxohexanamide;(2S,3R)-3-hydroxy-N-[(1S)-1-(4-methyl-3H-indol-2-yl)ethyl]-2-[(4-methylphenyl)sulfonylmethyl]butanamide;5,5,5-trifluoro-N-[(3S,6R)-6-(1-methylbenzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]pentanamide is sourced from PubChem (CID 163891748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).