(2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide

C275H363F6N57O32 — CID 162292432

IUPAC(2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide
SMILESCC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CC(F)(F)F)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CC1CC1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)N[C@H]1CCC[C@H]1c1ncc(-c2ccc(F)cc2F)[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCN(C)C)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](C)c1nc2c(F)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)N[C@H](Nc1nc2cc(C)ccc2o1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)N[C@H](Nc1nc2ccccc2o1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.C[C@H](NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2cc[nH]c12
InChIInChI=1S/C31H43F2N5O3.C30H39N5O3.C29H35N5O4.C28H35FN6O3.C28H35N7O3.C27H33N7O3.C26H34N6O4.C26H40N6O3.C26H37N5O3.C24H32F3N5O3/c1-4-21-8-5-6-15-38(21)29(40)17-26(35-28(39)14-11-19(2)3)31(41)37-25-10-7-9-23(25)30-34-18-27(36-30)22-13-12-20(32)16-24(22)33;1-4-23-14-8-9-18-35(23)27(37)19-25(32-26(36)17-16-22-12-6-5-7-13-22)30(38)31-21(3)29-33-24-15-10-11-20(2)28(24)34-29;1-20(28(37)31-19-23-11-7-10-22-14-15-30-27(22)23)32-29(38)24(18-26(36)34-16-5-6-17-34)33-25(35)13-12-21-8-3-2-4-9-21;1-3-20-12-7-8-15-35(20)24(36)16-23(33-28(38)30-17-19-10-5-4-6-11-19)27(37)31-18(2)26-32-22-14-9-13-21(29)25(22)34-26;1-5-19-10-6-7-14-35(19)28(37)34-25(33-27-31-21-15-16(2)12-13-22(21)38-27)26(36)29-18(4)24-30-20-11-8-9-17(3)23(20)32-24;1-4-18-11-7-8-15-34(18)27(36)33-24(32-26-30-19-12-5-6-14-21(19)37-26)25(35)28-17(3)23-29-20-13-9-10-16(2)22(20)31-23;1-5-18-10-6-7-12-32(18)22(33)14-20(29-26(35)21-13-16(3)36-31-21)25(34)27-17(4)24-28-19-11-8-9-15(2)23(19)30-24;1-6-19-11-7-8-14-32(19)23(34)16-21(28-22(33)13-15-31(4)5)26(35)27-18(3)25-29-20-12-9-10-17(2)24(20)30-25;1-4-19-9-5-6-13-31(19)23(33)15-21(28-22(32)14-18-11-12-18)26(34)27-17(3)25-29-20-10-7-8-16(2)24(20)30-25;1-4-16-9-5-6-11-32(16)20(34)12-18(29-19(33)13-24(25,26)27)23(35)28-15(3)22-30-17-10-7-8-14(2)21(17)31-22/h12-13,16,18-19,21,23,25-26H,4-11,14-15,17H2,1-3H3,(H,34,36)(H,35,39)(H,37,41);5-7,10-13,15,21,23,25H,4,8-9,14,16-19H2,1-3H3,(H,31,38)(H,32,36)(H,33,34);2-4,7-11,14-15,20,24,30H,5-6,12-13,16-19H2,1H3,(H,31,37)(H,32,38)(H,33,35);4-6,9-11,13-14,18,20,23H,3,7-8,12,15-17H2,1-2H3,(H,31,37)(H,32,34)(H2,30,33,38);8-9,11-13,15,18-19,25H,5-7,10,14H2,1-4H3,(H,29,36)(H,30,32)(H,31,33)(H,34,37);5-6,9-10,12-14,17-18,24H,4,7-8,11,15H2,1-3H3,(H,28,35)(H,29,31)(H,30,32)(H,33,36);8-9,11,13,17-18,20H,5-7,10,12,14H2,1-4H3,(H,27,34)(H,28,30)(H,29,35);9-10,12,18-19,21H,6-8,11,13-16H2,1-5H3,(H,27,35)(H,28,33)(H,29,30);7-8,10,17-19,21H,4-6,9,11-15H2,1-3H3,(H,27,34)(H,28,32)(H,29,30);7-8,10,15-16,18H,4-6,9,11-13H2,1-3H3,(H,28,35)(H,29,33)(H,30,31)/t21-,23+,25-,26-;21-,23-,25-;20-,24-;18-,20-,23-;18-,19-,25-;17-,18-,24-;17-,18-,20-;18-,19-,21-;17-,19-,21-;15-,16-,18-/m0000000000/s1
InChIKeyCSVRUOQCQMOYBR-HNGCPAIYSA-N
MW5093.28 g/mol
LogP38.59
Rot. Bonds90

About (2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide

(2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide (PubChem CID 162292432) has the molecular formula C275H363F6N57O32 and a molecular weight of 5093.28 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide
PubChem CID162292432
Molecular FormulaC275H363F6N57O32
Molecular Weight5093.28 g/mol
Exact Mass5089.84
IUPAC Name(2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide
SMILESCC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CC(F)(F)F)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CC1CC1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)N[C@H]1CCC[C@H]1c1ncc(-c2ccc(F)cc2F)[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCN(C)C)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](C)c1nc2c(F)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)N[C@H](Nc1nc2cc(C)ccc2o1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)N[C@H](Nc1nc2ccccc2o1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.C[C@H](NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2cc[nH]c12
InChIInChI=1S/C31H43F2N5O3.C30H39N5O3.C29H35N5O4.C28H35FN6O3.C28H35N7O3.C27H33N7O3.C26H34N6O4.C26H40N6O3.C26H37N5O3.C24H32F3N5O3/c1-4-21-8-5-6-15-38(21)29(40)17-26(35-28(39)14-11-19(2)3)31(41)37-25-10-7-9-23(25)30-34-18-27(36-30)22-13-12-20(32)16-24(22)33;1-4-23-14-8-9-18-35(23)27(37)19-25(32-26(36)17-16-22-12-6-5-7-13-22)30(38)31-21(3)29-33-24-15-10-11-20(2)28(24)34-29;1-20(28(37)31-19-23-11-7-10-22-14-15-30-27(22)23)32-29(38)24(18-26(36)34-16-5-6-17-34)33-25(35)13-12-21-8-3-2-4-9-21;1-3-20-12-7-8-15-35(20)24(36)16-23(33-28(38)30-17-19-10-5-4-6-11-19)27(37)31-18(2)26-32-22-14-9-13-21(29)25(22)34-26;1-5-19-10-6-7-14-35(19)28(37)34-25(33-27-31-21-15-16(2)12-13-22(21)38-27)26(36)29-18(4)24-30-20-11-8-9-17(3)23(20)32-24;1-4-18-11-7-8-15-34(18)27(36)33-24(32-26-30-19-12-5-6-14-21(19)37-26)25(35)28-17(3)23-29-20-13-9-10-16(2)22(20)31-23;1-5-18-10-6-7-12-32(18)22(33)14-20(29-26(35)21-13-16(3)36-31-21)25(34)27-17(4)24-28-19-11-8-9-15(2)23(19)30-24;1-6-19-11-7-8-14-32(19)23(34)16-21(28-22(33)13-15-31(4)5)26(35)27-18(3)25-29-20-12-9-10-17(2)24(20)30-25;1-4-19-9-5-6-13-31(19)23(33)15-21(28-22(32)14-18-11-12-18)26(34)27-17(3)25-29-20-10-7-8-16(2)24(20)30-25;1-4-16-9-5-6-11-32(16)20(34)12-18(29-19(33)13-24(25,26)27)23(35)28-15(3)22-30-17-10-7-8-14(2)21(17)31-22/h12-13,16,18-19,21,23,25-26H,4-11,14-15,17H2,1-3H3,(H,34,36)(H,35,39)(H,37,41);5-7,10-13,15,21,23,25H,4,8-9,14,16-19H2,1-3H3,(H,31,38)(H,32,36)(H,33,34);2-4,7-11,14-15,20,24,30H,5-6,12-13,16-19H2,1H3,(H,31,37)(H,32,38)(H,33,35);4-6,9-11,13-14,18,20,23H,3,7-8,12,15-17H2,1-2H3,(H,31,37)(H,32,34)(H2,30,33,38);8-9,11-13,15,18-19,25H,5-7,10,14H2,1-4H3,(H,29,36)(H,30,32)(H,31,33)(H,34,37);5-6,9-10,12-14,17-18,24H,4,7-8,11,15H2,1-3H3,(H,28,35)(H,29,31)(H,30,32)(H,33,36);8-9,11,13,17-18,20H,5-7,10,12,14H2,1-4H3,(H,27,34)(H,28,30)(H,29,35);9-10,12,18-19,21H,6-8,11,13-16H2,1-5H3,(H,27,35)(H,28,33)(H,29,30);7-8,10,17-19,21H,4-6,9,11-15H2,1-3H3,(H,27,34)(H,28,32)(H,29,30);7-8,10,15-16,18H,4-6,9,11-13H2,1-3H3,(H,28,35)(H,29,33)(H,30,31)/t21-,23+,25-,26-;21-,23-,25-;20-,24-;18-,20-,23-;18-,19-,25-;17-,18-,24-;17-,18-,20-;18-,19-,21-;17-,19-,21-;15-,16-,18-/m0000000000/s1
InChIKeyCSVRUOQCQMOYBR-HNGCPAIYSA-N
XLogP38.59
TPSA1171.39 Ų
H-Bond Donors34
H-Bond Acceptors47
Rotatable Bonds90
Heavy Atoms370
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005093.28
LogP ≤ 538.59
H-Bond Donors ≤ 534
H-Bond Acceptors ≤ 1047

Analyze (2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of (2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide (CID 162292432) is (2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide is CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CC(F)(F)F)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CC1CC1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)N[C@H]1CCC[C@H]1c1ncc(-c2ccc(F)cc2F)[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCN(C)C)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](C)c1nc2c(F)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)N[C@H](Nc1nc2cc(C)ccc2o1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)N[C@H](Nc1nc2ccccc2o1)C(=O)N[C@@H](C)c1nc2c(C)cccc2[nH]1.C[C@H](NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2cc[nH]c12.
What is the InChIKey of (2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide?
The InChIKey is CSVRUOQCQMOYBR-HNGCPAIYSA-N. The full InChI is InChI=1S/C31H43F2N5O3.C30H39N5O3.C29H35N5O4.C28H35FN6O3.C28H35N7O3.C27H33N7O3.C26H34N6O4.C26H40N6O3.C26H37N5O3.C24H32F3N5O3/c1-4-21-8-5-6-15-38(21)29(40)17-26(35-28(39)14-11-19(2)3)31(41)37-25-10-7-9-23(25)30-34-18-27(36-30)22-13-12-20(32)16-24(22)33;1-4-23-14-8-9-18-35(23)27(37)19-25(32-26(36)17-16-22-12-6-5-7-13-22)30(38)31-21(3)29-33-24-15-10-11-20(2)28(24)34-29;1-20(28(37)31-19-23-11-7-10-22-14-15-30-27(22)23)32-29(38)24(18-26(36)34-16-5-6-17-34)33-25(35)13-12-21-8-3-2-4-9-21;1-3-20-12-7-8-15-35(20)24(36)16-23(33-28(38)30-17-19-10-5-4-6-11-19)27(37)31-18(2)26-32-22-14-9-13-21(29)25(22)34-26;1-5-19-10-6-7-14-35(19)28(37)34-25(33-27-31-21-15-16(2)12-13-22(21)38-27)26(36)29-18(4)24-30-20-11-8-9-17(3)23(20)32-24;1-4-18-11-7-8-15-34(18)27(36)33-24(32-26-30-19-12-5-6-14-21(19)37-26)25(35)28-17(3)23-29-20-13-9-10-16(2)22(20)31-23;1-5-18-10-6-7-12-32(18)22(33)14-20(29-26(35)21-13-16(3)36-31-21)25(34)27-17(4)24-28-19-11-8-9-15(2)23(19)30-24;1-6-19-11-7-8-14-32(19)23(34)16-21(28-22(33)13-15-31(4)5)26(35)27-18(3)25-29-20-12-9-10-17(2)24(20)30-25;1-4-19-9-5-6-13-31(19)23(33)15-21(28-22(32)14-18-11-12-18)26(34)27-17(3)25-29-20-10-7-8-16(2)24(20)30-25;1-4-16-9-5-6-11-32(16)20(34)12-18(29-19(33)13-24(25,26)27)23(35)28-15(3)22-30-17-10-7-8-14(2)21(17)31-22/h12-13,16,18-19,21,23,25-26H,4-11,14-15,17H2,1-3H3,(H,34,36)(H,35,39)(H,37,41);5-7,10-13,15,21,23,25H,4,8-9,14,16-19H2,1-3H3,(H,31,38)(H,32,36)(H,33,34);2-4,7-11,14-15,20,24,30H,5-6,12-13,16-19H2,1H3,(H,31,37)(H,32,38)(H,33,35);4-6,9-11,13-14,18,20,23H,3,7-8,12,15-17H2,1-2H3,(H,31,37)(H,32,34)(H2,30,33,38);8-9,11-13,15,18-19,25H,5-7,10,14H2,1-4H3,(H,29,36)(H,30,32)(H,31,33)(H,34,37);5-6,9-10,12-14,17-18,24H,4,7-8,11,15H2,1-3H3,(H,28,35)(H,29,31)(H,30,32)(H,33,36);8-9,11,13,17-18,20H,5-7,10,12,14H2,1-4H3,(H,27,34)(H,28,30)(H,29,35);9-10,12,18-19,21H,6-8,11,13-16H2,1-5H3,(H,27,35)(H,28,33)(H,29,30);7-8,10,17-19,21H,4-6,9,11-15H2,1-3H3,(H,27,34)(H,28,32)(H,29,30);7-8,10,15-16,18H,4-6,9,11-13H2,1-3H3,(H,28,35)(H,29,33)(H,30,31)/t21-,23+,25-,26-;21-,23-,25-;20-,24-;18-,20-,23-;18-,19-,25-;17-,18-,24-;17-,18-,20-;18-,19-,21-;17-,19-,21-;15-,16-,18-/m0000000000/s1.
What are the key properties of (2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide?
(2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide has a molecular weight of 5093.28 g/mol, XLogP of 38.59, 90 rotatable bonds, 34 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(1,3-benzoxazol-2-ylamino)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-2-ethylpiperidine-1-carboxamide;(2S)-2-(benzylcarbamoylamino)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-[(2-cyclopropylacetyl)amino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;N-[(2S)-1-[[(1S,2R)-2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]cyclopentyl]amino]-4-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;(2S)-2-[3-(dimethylamino)propanoylamino]-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide;(2S)-2-ethyl-N-[(1S)-2-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1-[(5-methyl-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxamide;N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3-phenylpropanoylamino)butanamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-(3,3,3-trifluoropropanoylamino)butanamide;(2S)-N-[(2S)-1-(1H-indol-7-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-2-(3-phenylpropanoylamino)-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 162292432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).