N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione

C286H368F4N42O32 — CID 162281278

IUPACN-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione
SMILESCC(C)CCC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)C[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)CC(C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)C[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)C[C@H](C)c1nc2ccccc2[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2nc3ccccc3[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)C[C@@H](C)c2nc3ccccc3[nH]2)no1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)C3CCC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)C(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)c3ccccc3)[nH]2)c(F)c1
InChIInChI=1S/C31H37FN4O3.3C30H38N4O3.C29H41FN4O3.C29H31N5O4.C28H37FN4O3.C28H39FN4O3.C26H38N4O3.C25H31N5O4/c1-20-12-13-24(25(32)15-20)27-18-34-31(35-27)21(2)16-28(37)26(17-30(39)36-14-8-7-9-22(36)3)33-19-29(38)23-10-5-4-6-11-23;3*1-20(2)15-16-28(36)31-25(19-29(37)34-17-9-14-26(34)22-10-5-4-6-11-22)27(35)18-21(3)30-32-23-12-7-8-13-24(23)33-30;1-18(2)9-12-27(36)32-24(16-28(37)34-13-7-6-8-21(34)5)26(35)15-20(4)29-31-17-25(33-29)22-11-10-19(3)14-23(22)30;1-18(28-30-21-11-6-7-12-22(21)31-28)15-26(35)23(32-29(37)24-16-19(2)38-33-24)17-27(36)34-14-8-13-25(34)20-9-4-3-5-10-20;1-17-10-11-21(22(29)13-17)24-16-30-27(31-24)18(2)14-25(34)23(32-28(36)20-8-6-9-20)15-26(35)33-12-5-4-7-19(33)3;1-17(2)26(35)16-30-23(14-27(36)33-11-7-6-8-20(33)5)25(34)13-19(4)28-31-15-24(32-28)21-10-9-18(3)12-22(21)29;1-17(2)12-13-24(32)27-22(16-25(33)30-14-8-7-9-19(30)4)23(31)15-18(3)26-28-20-10-5-6-11-21(20)29-26;1-15(24-26-18-9-4-5-10-19(18)27-24)12-22(31)20(28-25(33)21-13-17(3)34-29-21)14-23(32)30-11-7-6-8-16(30)2/h4-6,10-13,15,18,21-22,26,33H,7-9,14,16-17,19H2,1-3H3,(H,34,35);3*4-8,10-13,20-21,25-26H,9,14-19H2,1-3H3,(H,31,36)(H,32,33);10-11,14,17-18,20-21,24H,6-9,12-13,15-16H2,1-5H3,(H,31,33)(H,32,36);3-7,9-12,16,18,23,25H,8,13-15,17H2,1-2H3,(H,30,31)(H,32,37);10-11,13,16,18-20,23H,4-9,12,14-15H2,1-3H3,(H,30,31)(H,32,36);9-10,12,15,17,19-20,23,30H,6-8,11,13-14,16H2,1-5H3,(H,31,32);5-6,10-11,17-19,22H,7-9,12-16H2,1-4H3,(H,27,32)(H,28,29);4-5,9-10,13,15-16,20H,6-8,11-12,14H2,1-3H3,(H,26,27)(H,28,33)/t21-,22+,26+;21?,25-,26+;21-,25+,26-;21-,25-,26+;20-,21+,24+;18-,23+,25-;18-,19+,23+;19-,20+,23+;18-,19+,22+;15-,16+,20+/m1010111111/s1
InChIKeyUHSIUQFPSYPEAO-OOVPWGJSSA-N
MW4982.34 g/mol
LogP47.97
Rot. Bonds102

About N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione

N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione (PubChem CID 162281278) has the molecular formula C286H368F4N42O32 and a molecular weight of 4982.34 g/mol. Its IUPAC name is N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione.

Molecular Properties

Compound NameN-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione
PubChem CID162281278
Molecular FormulaC286H368F4N42O32
Molecular Weight4982.34 g/mol
Exact Mass4978.84
IUPAC NameN-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione
SMILESCC(C)CCC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)C[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)CC(C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)C[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)C[C@H](C)c1nc2ccccc2[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2nc3ccccc3[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)C[C@@H](C)c2nc3ccccc3[nH]2)no1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)C3CCC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)C(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)c3ccccc3)[nH]2)c(F)c1
InChIInChI=1S/C31H37FN4O3.3C30H38N4O3.C29H41FN4O3.C29H31N5O4.C28H37FN4O3.C28H39FN4O3.C26H38N4O3.C25H31N5O4/c1-20-12-13-24(25(32)15-20)27-18-34-31(35-27)21(2)16-28(37)26(17-30(39)36-14-8-7-9-22(36)3)33-19-29(38)23-10-5-4-6-11-23;3*1-20(2)15-16-28(36)31-25(19-29(37)34-17-9-14-26(34)22-10-5-4-6-11-22)27(35)18-21(3)30-32-23-12-7-8-13-24(23)33-30;1-18(2)9-12-27(36)32-24(16-28(37)34-13-7-6-8-21(34)5)26(35)15-20(4)29-31-17-25(33-29)22-11-10-19(3)14-23(22)30;1-18(28-30-21-11-6-7-12-22(21)31-28)15-26(35)23(32-29(37)24-16-19(2)38-33-24)17-27(36)34-14-8-13-25(34)20-9-4-3-5-10-20;1-17-10-11-21(22(29)13-17)24-16-30-27(31-24)18(2)14-25(34)23(32-28(36)20-8-6-9-20)15-26(35)33-12-5-4-7-19(33)3;1-17(2)26(35)16-30-23(14-27(36)33-11-7-6-8-20(33)5)25(34)13-19(4)28-31-15-24(32-28)21-10-9-18(3)12-22(21)29;1-17(2)12-13-24(32)27-22(16-25(33)30-14-8-7-9-19(30)4)23(31)15-18(3)26-28-20-10-5-6-11-21(20)29-26;1-15(24-26-18-9-4-5-10-19(18)27-24)12-22(31)20(28-25(33)21-13-17(3)34-29-21)14-23(32)30-11-7-6-8-16(30)2/h4-6,10-13,15,18,21-22,26,33H,7-9,14,16-17,19H2,1-3H3,(H,34,35);3*4-8,10-13,20-21,25-26H,9,14-19H2,1-3H3,(H,31,36)(H,32,33);10-11,14,17-18,20-21,24H,6-9,12-13,15-16H2,1-5H3,(H,31,33)(H,32,36);3-7,9-12,16,18,23,25H,8,13-15,17H2,1-2H3,(H,30,31)(H,32,37);10-11,13,16,18-20,23H,4-9,12,14-15H2,1-3H3,(H,30,31)(H,32,36);9-10,12,15,17,19-20,23,30H,6-8,11,13-14,16H2,1-5H3,(H,31,32);5-6,10-11,17-19,22H,7-9,12-16H2,1-4H3,(H,27,32)(H,28,29);4-5,9-10,13,15-16,20H,6-8,11-12,14H2,1-3H3,(H,26,27)(H,28,33)/t21-,22+,26+;21?,25-,26+;21-,25+,26-;21-,25-,26+;20-,21+,24+;18-,23+,25-;18-,19+,23+;19-,20+,23+;18-,19+,22+;15-,16+,20+/m1010111111/s1
InChIKeyUHSIUQFPSYPEAO-OOVPWGJSSA-N
XLogP47.97
TPSA1003.66 Ų
H-Bond Donors20
H-Bond Acceptors46
Rotatable Bonds102
Heavy Atoms364
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004982.34
LogP ≤ 547.97
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1046

Analyze N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione?
The IUPAC name of N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione (CID 162281278) is N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione.
What is the SMILES notation for N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione?
The canonical SMILES for N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione is CC(C)CCC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)C[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)CC(C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)C[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)C[C@H](C)c1nc2ccccc2[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2nc3ccccc3[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)C[C@@H](C)c2nc3ccccc3[nH]2)no1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)C3CCC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)C(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)c3ccccc3)[nH]2)c(F)c1.
What is the InChIKey of N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione?
The InChIKey is UHSIUQFPSYPEAO-OOVPWGJSSA-N. The full InChI is InChI=1S/C31H37FN4O3.3C30H38N4O3.C29H41FN4O3.C29H31N5O4.C28H37FN4O3.C28H39FN4O3.C26H38N4O3.C25H31N5O4/c1-20-12-13-24(25(32)15-20)27-18-34-31(35-27)21(2)16-28(37)26(17-30(39)36-14-8-7-9-22(36)3)33-19-29(38)23-10-5-4-6-11-23;3*1-20(2)15-16-28(36)31-25(19-29(37)34-17-9-14-26(34)22-10-5-4-6-11-22)27(35)18-21(3)30-32-23-12-7-8-13-24(23)33-30;1-18(2)9-12-27(36)32-24(16-28(37)34-13-7-6-8-21(34)5)26(35)15-20(4)29-31-17-25(33-29)22-11-10-19(3)14-23(22)30;1-18(28-30-21-11-6-7-12-22(21)31-28)15-26(35)23(32-29(37)24-16-19(2)38-33-24)17-27(36)34-14-8-13-25(34)20-9-4-3-5-10-20;1-17-10-11-21(22(29)13-17)24-16-30-27(31-24)18(2)14-25(34)23(32-28(36)20-8-6-9-20)15-26(35)33-12-5-4-7-19(33)3;1-17(2)26(35)16-30-23(14-27(36)33-11-7-6-8-20(33)5)25(34)13-19(4)28-31-15-24(32-28)21-10-9-18(3)12-22(21)29;1-17(2)12-13-24(32)27-22(16-25(33)30-14-8-7-9-19(30)4)23(31)15-18(3)26-28-20-10-5-6-11-21(20)29-26;1-15(24-26-18-9-4-5-10-19(18)27-24)12-22(31)20(28-25(33)21-13-17(3)34-29-21)14-23(32)30-11-7-6-8-16(30)2/h4-6,10-13,15,18,21-22,26,33H,7-9,14,16-17,19H2,1-3H3,(H,34,35);3*4-8,10-13,20-21,25-26H,9,14-19H2,1-3H3,(H,31,36)(H,32,33);10-11,14,17-18,20-21,24H,6-9,12-13,15-16H2,1-5H3,(H,31,33)(H,32,36);3-7,9-12,16,18,23,25H,8,13-15,17H2,1-2H3,(H,30,31)(H,32,37);10-11,13,16,18-20,23H,4-9,12,14-15H2,1-3H3,(H,30,31)(H,32,36);9-10,12,15,17,19-20,23,30H,6-8,11,13-14,16H2,1-5H3,(H,31,32);5-6,10-11,17-19,22H,7-9,12-16H2,1-4H3,(H,27,32)(H,28,29);4-5,9-10,13,15-16,20H,6-8,11-12,14H2,1-3H3,(H,26,27)(H,28,33)/t21-,22+,26+;21?,25-,26+;21-,25+,26-;21-,25-,26+;20-,21+,24+;18-,23+,25-;18-,19+,23+;19-,20+,23+;18-,19+,22+;15-,16+,20+/m1010111111/s1.
What are the key properties of N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione?
N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione has a molecular weight of 4982.34 g/mol, XLogP of 47.97, 102 rotatable bonds, 20 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]heptane-1,4-dione;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]cyclobutanecarboxamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-3-(phenacylamino)heptane-1,4-dione is sourced from PubChem (CID 162281278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).