N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide

C276H358F4N52O32 — CID 162281282

IUPACN-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide
SMILESCC(C)CCC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NC(C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)N[C@H](C)c1nc2ccccc2[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@H](C)c2nc3ccccc3[nH]2)no1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)C3CCC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)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)NCC(=O)C(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)c3ccccc3)[nH]2)c(F)c1
InChIInChI=1S/C30H36FN5O3.3C29H37N5O3.C28H40FN5O3.C28H30N6O4.C27H36FN5O3.C27H38FN5O3.C25H37N5O3.C24H30N6O4/c1-19-12-13-23(24(31)15-19)26-17-33-29(35-26)21(3)34-30(39)25(16-28(38)36-14-8-7-9-20(36)2)32-18-27(37)22-10-5-4-6-11-22;3*1-19(2)15-16-26(35)31-24(18-27(36)34-17-9-14-25(34)21-10-5-4-6-11-21)29(37)30-20(3)28-32-22-12-7-8-13-23(22)33-28;1-17(2)9-12-25(35)32-23(15-26(36)34-13-7-6-8-19(34)4)28(37)31-20(5)27-30-16-24(33-27)21-11-10-18(3)14-22(21)29;1-17-15-23(33-38-17)28(37)32-22(16-25(35)34-14-8-13-24(34)19-9-4-3-5-10-19)27(36)29-18(2)26-30-20-11-6-7-12-21(20)31-26;1-16-10-11-20(21(28)13-16)23-15-29-25(31-23)18(3)30-27(36)22(32-26(35)19-8-6-9-19)14-24(34)33-12-5-4-7-17(33)2;1-16(2)24(34)15-29-22(13-25(35)33-11-7-6-8-18(33)4)27(36)31-19(5)26-30-14-23(32-26)20-10-9-17(3)12-21(20)28;1-16(2)12-13-22(31)27-21(15-23(32)30-14-8-7-9-17(30)3)25(33)26-18(4)24-28-19-10-5-6-11-20(19)29-24;1-14-8-6-7-11-30(14)21(31)13-19(28-24(33)20-12-15(2)34-29-20)23(32)25-16(3)22-26-17-9-4-5-10-18(17)27-22/h4-6,10-13,15,17,20-21,25,32H,7-9,14,16,18H2,1-3H3,(H,33,35)(H,34,39);3*4-8,10-13,19-20,24-25H,9,14-18H2,1-3H3,(H,30,37)(H,31,35)(H,32,33);10-11,14,16-17,19-20,23H,6-9,12-13,15H2,1-5H3,(H,30,33)(H,31,37)(H,32,35);3-7,9-12,15,18,22,24H,8,13-14,16H2,1-2H3,(H,29,36)(H,30,31)(H,32,37);10-11,13,15,17-19,22H,4-9,12,14H2,1-3H3,(H,29,31)(H,30,36)(H,32,35);9-10,12,14,16,18-19,22,29H,6-8,11,13,15H2,1-5H3,(H,30,32)(H,31,36);5-6,10-11,16-18,21H,7-9,12-15H2,1-4H3,(H,26,33)(H,27,31)(H,28,29);4-5,9-10,12,14,16,19H,6-8,11,13H2,1-3H3,(H,25,32)(H,26,27)(H,28,33)/t20-,21-,25-;20?,24-,25+;20-,24+,25-;20-,24-,25+;19-,20-,23-;18-,22+,24-;17-,18-,22-;18-,19-,22-;17-,18-,21-;14-,16-,19-/m0010010000/s1
InChIKeyOBSDMFOVCZONJA-RMWSEMLYSA-N
MW4992.22 g/mol
LogP39.11
Rot. Bonds92

About N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide

N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide (PubChem CID 162281282) has the molecular formula C276H358F4N52O32 and a molecular weight of 4992.22 g/mol. Its IUPAC name is N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide
PubChem CID162281282
Molecular FormulaC276H358F4N52O32
Molecular Weight4992.22 g/mol
Exact Mass4988.79
IUPAC NameN-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide
SMILESCC(C)CCC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NC(C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)N[C@H](C)c1nc2ccccc2[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@H](C)c2nc3ccccc3[nH]2)no1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)C3CCC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)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)NCC(=O)C(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)c3ccccc3)[nH]2)c(F)c1
InChIInChI=1S/C30H36FN5O3.3C29H37N5O3.C28H40FN5O3.C28H30N6O4.C27H36FN5O3.C27H38FN5O3.C25H37N5O3.C24H30N6O4/c1-19-12-13-23(24(31)15-19)26-17-33-29(35-26)21(3)34-30(39)25(16-28(38)36-14-8-7-9-20(36)2)32-18-27(37)22-10-5-4-6-11-22;3*1-19(2)15-16-26(35)31-24(18-27(36)34-17-9-14-25(34)21-10-5-4-6-11-21)29(37)30-20(3)28-32-22-12-7-8-13-23(22)33-28;1-17(2)9-12-25(35)32-23(15-26(36)34-13-7-6-8-19(34)4)28(37)31-20(5)27-30-16-24(33-27)21-11-10-18(3)14-22(21)29;1-17-15-23(33-38-17)28(37)32-22(16-25(35)34-14-8-13-24(34)19-9-4-3-5-10-19)27(36)29-18(2)26-30-20-11-6-7-12-21(20)31-26;1-16-10-11-20(21(28)13-16)23-15-29-25(31-23)18(3)30-27(36)22(32-26(35)19-8-6-9-19)14-24(34)33-12-5-4-7-17(33)2;1-16(2)24(34)15-29-22(13-25(35)33-11-7-6-8-18(33)4)27(36)31-19(5)26-30-14-23(32-26)20-10-9-17(3)12-21(20)28;1-16(2)12-13-22(31)27-21(15-23(32)30-14-8-7-9-17(30)3)25(33)26-18(4)24-28-19-10-5-6-11-20(19)29-24;1-14-8-6-7-11-30(14)21(31)13-19(28-24(33)20-12-15(2)34-29-20)23(32)25-16(3)22-26-17-9-4-5-10-18(17)27-22/h4-6,10-13,15,17,20-21,25,32H,7-9,14,16,18H2,1-3H3,(H,33,35)(H,34,39);3*4-8,10-13,19-20,24-25H,9,14-18H2,1-3H3,(H,30,37)(H,31,35)(H,32,33);10-11,14,16-17,19-20,23H,6-9,12-13,15H2,1-5H3,(H,30,33)(H,31,37)(H,32,35);3-7,9-12,15,18,22,24H,8,13-14,16H2,1-2H3,(H,29,36)(H,30,31)(H,32,37);10-11,13,15,17-19,22H,4-9,12,14H2,1-3H3,(H,29,31)(H,30,36)(H,32,35);9-10,12,14,16,18-19,22,29H,6-8,11,13,15H2,1-5H3,(H,30,32)(H,31,36);5-6,10-11,16-18,21H,7-9,12-15H2,1-4H3,(H,26,33)(H,27,31)(H,28,29);4-5,9-10,12,14,16,19H,6-8,11,13H2,1-3H3,(H,25,32)(H,26,27)(H,28,33)/t20-,21-,25-;20?,24-,25+;20-,24+,25-;20-,24-,25+;19-,20-,23-;18-,22+,24-;17-,18-,22-;18-,19-,22-;17-,18-,21-;14-,16-,19-/m0010010000/s1
InChIKeyOBSDMFOVCZONJA-RMWSEMLYSA-N
XLogP39.11
TPSA1123.96 Ų
H-Bond Donors30
H-Bond Acceptors46
Rotatable Bonds92
Heavy Atoms364
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004992.22
LogP ≤ 539.11
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1046

Analyze N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide?
The IUPAC name of N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide (CID 162281282) is N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide.
What is the SMILES notation for N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide?
The canonical SMILES for N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide is CC(C)CCC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NC(C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)N[C@H](C)c1nc2ccccc2[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@H](C)c2nc3ccccc3[nH]2)no1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)C3CCC3)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)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)NCC(=O)C(C)C)[nH]2)c(F)c1.Cc1ccc(-c2cnc([C@H](C)NC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NCC(=O)c3ccccc3)[nH]2)c(F)c1.
What is the InChIKey of N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide?
The InChIKey is OBSDMFOVCZONJA-RMWSEMLYSA-N. The full InChI is InChI=1S/C30H36FN5O3.3C29H37N5O3.C28H40FN5O3.C28H30N6O4.C27H36FN5O3.C27H38FN5O3.C25H37N5O3.C24H30N6O4/c1-19-12-13-23(24(31)15-19)26-17-33-29(35-26)21(3)34-30(39)25(16-28(38)36-14-8-7-9-20(36)2)32-18-27(37)22-10-5-4-6-11-22;3*1-19(2)15-16-26(35)31-24(18-27(36)34-17-9-14-25(34)21-10-5-4-6-11-21)29(37)30-20(3)28-32-22-12-7-8-13-23(22)33-28;1-17(2)9-12-25(35)32-23(15-26(36)34-13-7-6-8-19(34)4)28(37)31-20(5)27-30-16-24(33-27)21-11-10-18(3)14-22(21)29;1-17-15-23(33-38-17)28(37)32-22(16-25(35)34-14-8-13-24(34)19-9-4-3-5-10-19)27(36)29-18(2)26-30-20-11-6-7-12-21(20)31-26;1-16-10-11-20(21(28)13-16)23-15-29-25(31-23)18(3)30-27(36)22(32-26(35)19-8-6-9-19)14-24(34)33-12-5-4-7-17(33)2;1-16(2)24(34)15-29-22(13-25(35)33-11-7-6-8-18(33)4)27(36)31-19(5)26-30-14-23(32-26)20-10-9-17(3)12-21(20)28;1-16(2)12-13-22(31)27-21(15-23(32)30-14-8-7-9-17(30)3)25(33)26-18(4)24-28-19-10-5-6-11-20(19)29-24;1-14-8-6-7-11-30(14)21(31)13-19(28-24(33)20-12-15(2)34-29-20)23(32)25-16(3)22-26-17-9-4-5-10-18(17)27-22/h4-6,10-13,15,17,20-21,25,32H,7-9,14,16,18H2,1-3H3,(H,33,35)(H,34,39);3*4-8,10-13,19-20,24-25H,9,14-18H2,1-3H3,(H,30,37)(H,31,35)(H,32,33);10-11,14,16-17,19-20,23H,6-9,12-13,15H2,1-5H3,(H,30,33)(H,31,37)(H,32,35);3-7,9-12,15,18,22,24H,8,13-14,16H2,1-2H3,(H,29,36)(H,30,31)(H,32,37);10-11,13,15,17-19,22H,4-9,12,14H2,1-3H3,(H,29,31)(H,30,36)(H,32,35);9-10,12,14,16,18-19,22,29H,6-8,11,13,15H2,1-5H3,(H,30,32)(H,31,36);5-6,10-11,16-18,21H,7-9,12-15H2,1-4H3,(H,26,33)(H,27,31)(H,28,29);4-5,9-10,12,14,16,19H,6-8,11,13H2,1-3H3,(H,25,32)(H,26,27)(H,28,33)/t20-,21-,25-;20?,24-,25+;20-,24+,25-;20-,24-,25+;19-,20-,23-;18-,22+,24-;17-,18-,22-;18-,19-,22-;17-,18-,21-;14-,16-,19-/m0010010000/s1.
What are the key properties of N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide?
N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide has a molecular weight of 4992.22 g/mol, XLogP of 39.11, 92 rotatable bonds, 30 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[1-(1H-benzimidazol-2-yl)ethylamino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]cyclobutanecarboxamide;N-[(2S)-1-[[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide;(2S)-N-[(1S)-1-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxo-2-(phenacylamino)butanamide is sourced from PubChem (CID 162281282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).