(2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C231H297F14N47O28 — CID 160923571

IUPAC(2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(C)CCC(=O)N[C@@H](CC(=O)N(C)C(C)C)C(=O)N[C@@H](C)c1ncc(-c2ccc(F)cc2F)[nH]1.CCN(CC)C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)N[C@@H](C)c1ncc(-c2ccc(F)cc2F)[nH]1.C[C@H](NC(=O)[C@@H](N)CC(=O)N1CCCC[C@@H]1C)c1ncc(-c2ccc(F)cc2F)[nH]1.C[C@H](NC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)C1CCC1)c1ncc(-c2ccc(F)cc2F)[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC2)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@@H](C)c2ncc(-c3ccccc3F)[nH]2)no1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC3)NC(=O)CCC(C)(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC3)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CC3CC3)[nH]2)c(F)c1
InChIInChI=1S/C30H31FN6O4.C27H36FN5O3.C27H38FN5O3.C26H33F2N5O3.C26H36FN5O3.2C25H35F2N5O3.C24H26F2N6O4.C21H27F2N5O2/c1-18-15-24(36-41-18)30(40)35-23(16-27(38)37-14-8-13-26(37)20-9-4-3-5-10-20)29(39)33-19(2)28-32-17-25(34-28)21-11-6-7-12-22(21)31;1-16-7-10-20(21(28)12-16)23-15-29-26(32-23)18(3)30-27(36)22(31-24(34)13-19-8-9-19)14-25(35)33-11-5-4-6-17(33)2;1-17-8-9-19(20(28)14-17)22-16-29-25(32-22)18(2)30-26(36)21(15-24(35)33-12-6-7-13-33)31-23(34)10-11-27(3,4)5;1-15-6-3-4-11-33(15)23(34)13-21(32-25(35)17-7-5-8-17)26(36)30-16(2)24-29-14-22(31-24)19-10-9-18(27)12-20(19)28;1-16(2)7-10-23(33)30-21(14-24(34)32-11-5-6-12-32)26(35)29-18(4)25-28-15-22(31-25)19-9-8-17(3)13-20(19)27;1-14(2)7-10-22(33)30-20(12-23(34)32(6)15(3)4)25(35)29-16(5)24-28-13-21(31-24)18-9-8-17(26)11-19(18)27;1-6-32(7-2)23(34)13-20(30-22(33)11-8-15(3)4)25(35)29-16(5)24-28-14-21(31-24)18-10-9-17(26)12-19(18)27;1-13-9-19(31-36-13)24(35)30-18(11-21(33)32-7-3-4-8-32)23(34)28-14(2)22-27-12-20(29-22)16-6-5-15(25)10-17(16)26;1-12-5-3-4-8-28(12)19(29)10-17(24)21(30)26-13(2)20-25-11-18(27-20)15-7-6-14(22)9-16(15)23/h3-7,9-12,15,17,19,23,26H,8,13-14,16H2,1-2H3,(H,32,34)(H,33,39)(H,35,40);7,10,12,15,17-19,22H,4-6,8-9,11,13-14H2,1-3H3,(H,29,32)(H,30,36)(H,31,34);8-9,14,16,18,21H,6-7,10-13,15H2,1-5H3,(H,29,32)(H,30,36)(H,31,34);9-10,12,14-17,21H,3-8,11,13H2,1-2H3,(H,29,31)(H,30,36)(H,32,35);8-9,13,15-16,18,21H,5-7,10-12,14H2,1-4H3,(H,28,31)(H,29,35)(H,30,33);8-9,11,13-16,20H,7,10,12H2,1-6H3,(H,28,31)(H,29,35)(H,30,33);9-10,12,14-16,20H,6-8,11,13H2,1-5H3,(H,28,31)(H,29,35)(H,30,33);5-6,9-10,12,14,18H,3-4,7-8,11H2,1-2H3,(H,27,29)(H,28,34)(H,30,35);6-7,9,11-13,17H,3-5,8,10,24H2,1-2H3,(H,25,27)(H,26,30)/t19-,23-,26+;17-,18-,22-;18-,21-;15-,16-,21-;18-,21-;2*16-,20-;14-,18-;12-,13-,17-/m000000000/s1
InChIKeySSIRBDBMCHVWFX-YKQAOSFESA-N
MW4446.19 g/mol
LogP32.00
Rot. Bonds82

About (2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

(2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 160923571) has the molecular formula C231H297F14N47O28 and a molecular weight of 4446.19 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID160923571
Molecular FormulaC231H297F14N47O28
Molecular Weight4446.19 g/mol
Exact Mass4443.30
IUPAC Name(2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCC(C)CCC(=O)N[C@@H](CC(=O)N(C)C(C)C)C(=O)N[C@@H](C)c1ncc(-c2ccc(F)cc2F)[nH]1.CCN(CC)C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)N[C@@H](C)c1ncc(-c2ccc(F)cc2F)[nH]1.C[C@H](NC(=O)[C@@H](N)CC(=O)N1CCCC[C@@H]1C)c1ncc(-c2ccc(F)cc2F)[nH]1.C[C@H](NC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)C1CCC1)c1ncc(-c2ccc(F)cc2F)[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC2)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@@H](C)c2ncc(-c3ccccc3F)[nH]2)no1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC3)NC(=O)CCC(C)(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC3)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CC3CC3)[nH]2)c(F)c1
InChIInChI=1S/C30H31FN6O4.C27H36FN5O3.C27H38FN5O3.C26H33F2N5O3.C26H36FN5O3.2C25H35F2N5O3.C24H26F2N6O4.C21H27F2N5O2/c1-18-15-24(36-41-18)30(40)35-23(16-27(38)37-14-8-13-26(37)20-9-4-3-5-10-20)29(39)33-19(2)28-32-17-25(34-28)21-11-6-7-12-22(21)31;1-16-7-10-20(21(28)12-16)23-15-29-26(32-23)18(3)30-27(36)22(31-24(34)13-19-8-9-19)14-25(35)33-11-5-4-6-17(33)2;1-17-8-9-19(20(28)14-17)22-16-29-25(32-22)18(2)30-26(36)21(15-24(35)33-12-6-7-13-33)31-23(34)10-11-27(3,4)5;1-15-6-3-4-11-33(15)23(34)13-21(32-25(35)17-7-5-8-17)26(36)30-16(2)24-29-14-22(31-24)19-10-9-18(27)12-20(19)28;1-16(2)7-10-23(33)30-21(14-24(34)32-11-5-6-12-32)26(35)29-18(4)25-28-15-22(31-25)19-9-8-17(3)13-20(19)27;1-14(2)7-10-22(33)30-20(12-23(34)32(6)15(3)4)25(35)29-16(5)24-28-13-21(31-24)18-9-8-17(26)11-19(18)27;1-6-32(7-2)23(34)13-20(30-22(33)11-8-15(3)4)25(35)29-16(5)24-28-14-21(31-24)18-10-9-17(26)12-19(18)27;1-13-9-19(31-36-13)24(35)30-18(11-21(33)32-7-3-4-8-32)23(34)28-14(2)22-27-12-20(29-22)16-6-5-15(25)10-17(16)26;1-12-5-3-4-8-28(12)19(29)10-17(24)21(30)26-13(2)20-25-11-18(27-20)15-7-6-14(22)9-16(15)23/h3-7,9-12,15,17,19,23,26H,8,13-14,16H2,1-2H3,(H,32,34)(H,33,39)(H,35,40);7,10,12,15,17-19,22H,4-6,8-9,11,13-14H2,1-3H3,(H,29,32)(H,30,36)(H,31,34);8-9,14,16,18,21H,6-7,10-13,15H2,1-5H3,(H,29,32)(H,30,36)(H,31,34);9-10,12,14-17,21H,3-8,11,13H2,1-2H3,(H,29,31)(H,30,36)(H,32,35);8-9,13,15-16,18,21H,5-7,10-12,14H2,1-4H3,(H,28,31)(H,29,35)(H,30,33);8-9,11,13-16,20H,7,10,12H2,1-6H3,(H,28,31)(H,29,35)(H,30,33);9-10,12,14-16,20H,6-8,11,13H2,1-5H3,(H,28,31)(H,29,35)(H,30,33);5-6,9-10,12,14,18H,3-4,7-8,11H2,1-2H3,(H,27,29)(H,28,34)(H,30,35);6-7,9,11-13,17H,3-5,8,10,24H2,1-2H3,(H,25,27)(H,26,30)/t19-,23-,26+;17-,18-,22-;18-,21-;15-,16-,21-;18-,21-;2*16-,20-;14-,18-;12-,13-,17-/m000000000/s1
InChIKeySSIRBDBMCHVWFX-YKQAOSFESA-N
XLogP32.00
TPSA1013.69 Ų
H-Bond Donors27
H-Bond Acceptors40
Rotatable Bonds82
Heavy Atoms320
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004446.19
LogP ≤ 532.00
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1040

Analyze (2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2S)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 155164655
(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-2-[[2-(oxan-4-yl)acetyl]amino]-4-oxobutanamide
CID 138545100
N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 162295164
(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-[(2-phenylacetyl)amino]butanamide
CID 158350597
N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide
CID 142558084
ethane;N-[2-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide;molecular hydrogen;1-[(2R)-2-phenylpyrrolidin-1-yl]ethanone
CID 142558332
N-[1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-piperidin-1-ylbutan-2-yl]-4-methylpentanamide
CID 138545036
N-[1-[[(1S)-1-(5-benzyl-1H-imidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 142558271
N-[(2S)-1-[[(1S)-1-(5-benzyl-1H-imidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2S)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 155164598
N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 138545075
N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide
CID 159704074
N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide
CID 162292438

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of (2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 160923571) is (2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for (2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is CC(C)CCC(=O)N[C@@H](CC(=O)N(C)C(C)C)C(=O)N[C@@H](C)c1ncc(-c2ccc(F)cc2F)[nH]1.CCN(CC)C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)N[C@@H](C)c1ncc(-c2ccc(F)cc2F)[nH]1.C[C@H](NC(=O)[C@@H](N)CC(=O)N1CCCC[C@@H]1C)c1ncc(-c2ccc(F)cc2F)[nH]1.C[C@H](NC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)C1CCC1)c1ncc(-c2ccc(F)cc2F)[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC2)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@@H](C)c2ncc(-c3ccccc3F)[nH]2)no1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC3)NC(=O)CCC(C)(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC3)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CC3CC3)[nH]2)c(F)c1.
What is the InChIKey of (2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is SSIRBDBMCHVWFX-YKQAOSFESA-N. The full InChI is InChI=1S/C30H31FN6O4.C27H36FN5O3.C27H38FN5O3.C26H33F2N5O3.C26H36FN5O3.2C25H35F2N5O3.C24H26F2N6O4.C21H27F2N5O2/c1-18-15-24(36-41-18)30(40)35-23(16-27(38)37-14-8-13-26(37)20-9-4-3-5-10-20)29(39)33-19(2)28-32-17-25(34-28)21-11-6-7-12-22(21)31;1-16-7-10-20(21(28)12-16)23-15-29-26(32-23)18(3)30-27(36)22(31-24(34)13-19-8-9-19)14-25(35)33-11-5-4-6-17(33)2;1-17-8-9-19(20(28)14-17)22-16-29-25(32-22)18(2)30-26(36)21(15-24(35)33-12-6-7-13-33)31-23(34)10-11-27(3,4)5;1-15-6-3-4-11-33(15)23(34)13-21(32-25(35)17-7-5-8-17)26(36)30-16(2)24-29-14-22(31-24)19-10-9-18(27)12-20(19)28;1-16(2)7-10-23(33)30-21(14-24(34)32-11-5-6-12-32)26(35)29-18(4)25-28-15-22(31-25)19-9-8-17(3)13-20(19)27;1-14(2)7-10-22(33)30-20(12-23(34)32(6)15(3)4)25(35)29-16(5)24-28-13-21(31-24)18-9-8-17(26)11-19(18)27;1-6-32(7-2)23(34)13-20(30-22(33)11-8-15(3)4)25(35)29-16(5)24-28-14-21(31-24)18-10-9-17(26)12-19(18)27;1-13-9-19(31-36-13)24(35)30-18(11-21(33)32-7-3-4-8-32)23(34)28-14(2)22-27-12-20(29-22)16-6-5-15(25)10-17(16)26;1-12-5-3-4-8-28(12)19(29)10-17(24)21(30)26-13(2)20-25-11-18(27-20)15-7-6-14(22)9-16(15)23/h3-7,9-12,15,17,19,23,26H,8,13-14,16H2,1-2H3,(H,32,34)(H,33,39)(H,35,40);7,10,12,15,17-19,22H,4-6,8-9,11,13-14H2,1-3H3,(H,29,32)(H,30,36)(H,31,34);8-9,14,16,18,21H,6-7,10-13,15H2,1-5H3,(H,29,32)(H,30,36)(H,31,34);9-10,12,14-17,21H,3-8,11,13H2,1-2H3,(H,29,31)(H,30,36)(H,32,35);8-9,13,15-16,18,21H,5-7,10-12,14H2,1-4H3,(H,28,31)(H,29,35)(H,30,33);8-9,11,13-16,20H,7,10,12H2,1-6H3,(H,28,31)(H,29,35)(H,30,33);9-10,12,14-16,20H,6-8,11,13H2,1-5H3,(H,28,31)(H,29,35)(H,30,33);5-6,9-10,12,14,18H,3-4,7-8,11H2,1-2H3,(H,27,29)(H,28,34)(H,30,35);6-7,9,11-13,17H,3-5,8,10,24H2,1-2H3,(H,25,27)(H,26,30)/t19-,23-,26+;17-,18-,22-;18-,21-;15-,16-,21-;18-,21-;2*16-,20-;14-,18-;12-,13-,17-/m000000000/s1.
What are the key properties of (2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
(2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 4446.19 g/mol, XLogP of 32.00, 82 rotatable bonds, 27 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N',N'-diethyl-2-(4-methylpentanoylamino)butanediamide;(2S)-N-[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]-N'-methyl-2-(4-methylpentanoylamino)-N'-propan-2-ylbutanediamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4,4-dimethylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-pyrrolidin-1-ylbutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160923571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).