(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide

C323H494N46O47S6 — CID 161142372

IUPAC(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide
SMILESC#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN(C)C)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN(C)CC)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN(CC)CC)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCNC(C)C)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCNC)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)OC(=O)N(C)CCN(C)C.CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCN(C)CCc1cnc[nH]1)Cc1ccccc1.CC[C@H](CNC(=O)C(CCc1ccccc1)CC(=O)N(C)CCN(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C.CC[C@H](CNC(=O)[C@H](CCc1ccccc1)OC(=O)N(C)CCN(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
InChIInChI=1S/C40H62N8O5.C37H55N5O5S.2C36H53N5O5S.C36H62N4O5.C35H51N5O5S.C35H60N4O6.C34H49N5O6S.C34H49N5O5S/c1-28(2)19-36(49)38(51)34(21-30-13-9-6-10-14-30)45-40(53)35(23-33-25-42-27-44-33)46-39(52)31(20-29-11-7-5-8-12-29)22-37(50)48(4)18-17-47(3)16-15-32-24-41-26-43-32;1-5-14-33(43)35(45)31(22-28-17-12-9-13-18-28)39-37(47)32(24-30-25-48-26-38-30)40-36(46)29(21-27-15-10-8-11-16-27)23-34(44)41(4)19-20-42(6-2)7-3;1-5-12-32(42)34(44)30(20-27-15-10-7-11-16-27)39-36(46)31(22-29-23-47-24-38-29)40-35(45)28(19-26-13-8-6-9-14-26)21-33(43)41(4)18-17-37-25(2)3;1-5-13-32(42)34(44)30(21-27-16-11-8-12-17-27)38-36(46)31(23-29-24-47-25-37-29)39-35(45)28(20-26-14-9-7-10-15-26)22-33(43)41(4)19-18-40(3)6-2;1-7-29(36(45)38-31(23-28-16-12-9-13-17-28)34(43)32(41)22-26(2)3)25-37-35(44)30(19-18-27-14-10-8-11-15-27)24-33(42)40(6)21-20-39(4)5;1-5-12-31(41)33(43)29(20-26-15-10-7-11-16-26)37-35(45)30(22-28-23-46-24-36-28)38-34(44)27(19-25-13-8-6-9-14-25)21-32(42)40(4)18-17-39(2)3;1-7-28(33(42)37-29(23-27-16-12-9-13-17-27)32(41)30(40)22-25(2)3)24-36-34(43)31(19-18-26-14-10-8-11-15-26)45-35(44)39(6)21-20-38(4)5;1-5-12-29(40)31(41)27(19-24-13-8-6-9-14-24)36-32(42)28(21-26-22-46-23-35-26)37-33(43)30(20-25-15-10-7-11-16-25)45-34(44)39(4)18-17-38(2)3;1-4-11-30(40)32(42)28(19-25-14-9-6-10-15-25)37-34(44)29(21-27-22-45-23-36-27)38-33(43)26(18-24-12-7-5-8-13-24)20-31(41)39(3)17-16-35-2/h5,7-8,11-12,24-28,30-31,34-36,38,49,51H,6,9-10,13-23H2,1-4H3,(H,41,43)(H,42,44)(H,45,53)(H,46,52);1,8,10-11,15-16,25-26,28-29,31-33,35,43,45H,6-7,9,12-14,17-24H2,2-4H3,(H,39,47)(H,40,46);1,6,8-9,13-14,23-25,27-28,30-32,34,37,42,44H,7,10-12,15-22H2,2-4H3,(H,39,46)(H,40,45);1,7,9-10,14-15,24-25,27-28,30-32,34,42,44H,6,8,11-13,16-23H2,2-4H3,(H,38,46)(H,39,45);8,10-11,14-15,26,28-32,34,41,43H,7,9,12-13,16-25H2,1-6H3,(H,37,44)(H,38,45);1,6,8-9,13-14,23-24,26-27,29-31,33,41,43H,7,10-12,15-22H2,2-4H3,(H,37,45)(H,38,44);8,10-11,14-15,25,27-32,40-41H,7,9,12-13,16-24H2,1-6H3,(H,36,43)(H,37,42);1,7,10-11,15-16,22-24,27-31,40-41H,6,8-9,12-14,17-21H2,2-4H3,(H,36,42)(H,37,43);1,5,7-8,12-13,22-23,25-26,28-30,32,35,40,42H,6,9-11,14-21H2,2-3H3,(H,37,44)(H,38,43)/t31-,34+,35+,36+,38-;29-,31+,32+,33+,35-;2*28-,30+,31+,32+,34-;29-,30?,31+,32+,34-;27-,29+,30+,31+,33-;28-,29+,30+,31+,32-;27-,28-,29-,30-,31+;26-,28+,29+,30+,32-/m111111101/s1
InChIKeyUNPRFURNVPWCJP-ISHKSPIBSA-N
MW5966.18 g/mol
LogP28.33
Rot. Bonds172

About (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide

(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide (PubChem CID 161142372) has the molecular formula C323H494N46O47S6 and a molecular weight of 5966.18 g/mol. Its IUPAC name is (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide
PubChem CID161142372
Molecular FormulaC323H494N46O47S6
Molecular Weight5966.18 g/mol
Exact Mass5961.60
IUPAC Name(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide
SMILESC#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN(C)C)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN(C)CC)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN(CC)CC)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCNC(C)C)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCNC)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)OC(=O)N(C)CCN(C)C.CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCN(C)CCc1cnc[nH]1)Cc1ccccc1.CC[C@H](CNC(=O)C(CCc1ccccc1)CC(=O)N(C)CCN(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C.CC[C@H](CNC(=O)[C@H](CCc1ccccc1)OC(=O)N(C)CCN(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
InChIInChI=1S/C40H62N8O5.C37H55N5O5S.2C36H53N5O5S.C36H62N4O5.C35H51N5O5S.C35H60N4O6.C34H49N5O6S.C34H49N5O5S/c1-28(2)19-36(49)38(51)34(21-30-13-9-6-10-14-30)45-40(53)35(23-33-25-42-27-44-33)46-39(52)31(20-29-11-7-5-8-12-29)22-37(50)48(4)18-17-47(3)16-15-32-24-41-26-43-32;1-5-14-33(43)35(45)31(22-28-17-12-9-13-18-28)39-37(47)32(24-30-25-48-26-38-30)40-36(46)29(21-27-15-10-8-11-16-27)23-34(44)41(4)19-20-42(6-2)7-3;1-5-12-32(42)34(44)30(20-27-15-10-7-11-16-27)39-36(46)31(22-29-23-47-24-38-29)40-35(45)28(19-26-13-8-6-9-14-26)21-33(43)41(4)18-17-37-25(2)3;1-5-13-32(42)34(44)30(21-27-16-11-8-12-17-27)38-36(46)31(23-29-24-47-25-37-29)39-35(45)28(20-26-14-9-7-10-15-26)22-33(43)41(4)19-18-40(3)6-2;1-7-29(36(45)38-31(23-28-16-12-9-13-17-28)34(43)32(41)22-26(2)3)25-37-35(44)30(19-18-27-14-10-8-11-15-27)24-33(42)40(6)21-20-39(4)5;1-5-12-31(41)33(43)29(20-26-15-10-7-11-16-26)37-35(45)30(22-28-23-46-24-36-28)38-34(44)27(19-25-13-8-6-9-14-25)21-32(42)40(4)18-17-39(2)3;1-7-28(33(42)37-29(23-27-16-12-9-13-17-27)32(41)30(40)22-25(2)3)24-36-34(43)31(19-18-26-14-10-8-11-15-26)45-35(44)39(6)21-20-38(4)5;1-5-12-29(40)31(41)27(19-24-13-8-6-9-14-24)36-32(42)28(21-26-22-46-23-35-26)37-33(43)30(20-25-15-10-7-11-16-25)45-34(44)39(4)18-17-38(2)3;1-4-11-30(40)32(42)28(19-25-14-9-6-10-15-25)37-34(44)29(21-27-22-45-23-36-27)38-33(43)26(18-24-12-7-5-8-13-24)20-31(41)39(3)17-16-35-2/h5,7-8,11-12,24-28,30-31,34-36,38,49,51H,6,9-10,13-23H2,1-4H3,(H,41,43)(H,42,44)(H,45,53)(H,46,52);1,8,10-11,15-16,25-26,28-29,31-33,35,43,45H,6-7,9,12-14,17-24H2,2-4H3,(H,39,47)(H,40,46);1,6,8-9,13-14,23-25,27-28,30-32,34,37,42,44H,7,10-12,15-22H2,2-4H3,(H,39,46)(H,40,45);1,7,9-10,14-15,24-25,27-28,30-32,34,42,44H,6,8,11-13,16-23H2,2-4H3,(H,38,46)(H,39,45);8,10-11,14-15,26,28-32,34,41,43H,7,9,12-13,16-25H2,1-6H3,(H,37,44)(H,38,45);1,6,8-9,13-14,23-24,26-27,29-31,33,41,43H,7,10-12,15-22H2,2-4H3,(H,37,45)(H,38,44);8,10-11,14-15,25,27-32,40-41H,7,9,12-13,16-24H2,1-6H3,(H,36,43)(H,37,42);1,7,10-11,15-16,22-24,27-31,40-41H,6,8-9,12-14,17-21H2,2-4H3,(H,36,42)(H,37,43);1,5,7-8,12-13,22-23,25-26,28-30,32,35,40,42H,6,9-11,14-21H2,2-3H3,(H,37,44)(H,38,43)/t31-,34+,35+,36+,38-;29-,31+,32+,33+,35-;2*28-,30+,31+,32+,34-;29-,30?,31+,32+,34-;27-,29+,30+,31+,33-;28-,29+,30+,31+,32-;27-,28-,29-,30-,31+;26-,28+,29+,30+,32-/m111111101/s1
InChIKeyUNPRFURNVPWCJP-ISHKSPIBSA-N
XLogP28.33
TPSA1270.63 Ų
H-Bond Donors40
H-Bond Acceptors70
Rotatable Bonds172
Heavy Atoms422
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005966.18
LogP ≤ 528.33
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1070

Analyze (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide with MolForge

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Launch Full Analysis

Related Compounds

2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide
CID 59965960
(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide
CID 10462138
2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohept-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide
CID 91454951
2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide
CID 162033495
(2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide
CID 158163301
2-benzyl-N-[(2S)-1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]butanediamide
CID 163652862
(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide
CID 10153222
(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxynon-8-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]butanediamide
CID 10153651
(2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxohex-5-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-3-ethynyl-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-3-ethynyl-1-oxopent-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-3-ethynyl-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxohex-5-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)pent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide
CID 161042280
2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-5-cyclopropyl-3,4-dihydroxypentan-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhexan-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxyhex-5-en-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide
CID 91339100
2-benzyl-N-[1-[(1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl)amino]-1-oxohex-5-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide
CID 22944254
2-benzyl-N-[(2S)-1-[[(3R)-1-cyclohexyl-3,4-dihydroxynon-8-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide
CID 59871333

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide?
The IUPAC name of (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide (CID 161142372) is (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide.
What is the SMILES notation for (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide?
The canonical SMILES for (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide is C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN(C)C)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN(C)CC)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN(CC)CC)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCNC(C)C)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCNC)Cc1ccccc1.C#CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)OC(=O)N(C)CCN(C)C.CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N(C)CCN(C)CCc1cnc[nH]1)Cc1ccccc1.CC[C@H](CNC(=O)C(CCc1ccccc1)CC(=O)N(C)CCN(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C.CC[C@H](CNC(=O)[C@H](CCc1ccccc1)OC(=O)N(C)CCN(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C.
What is the InChIKey of (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide?
The InChIKey is UNPRFURNVPWCJP-ISHKSPIBSA-N. The full InChI is InChI=1S/C40H62N8O5.C37H55N5O5S.2C36H53N5O5S.C36H62N4O5.C35H51N5O5S.C35H60N4O6.C34H49N5O6S.C34H49N5O5S/c1-28(2)19-36(49)38(51)34(21-30-13-9-6-10-14-30)45-40(53)35(23-33-25-42-27-44-33)46-39(52)31(20-29-11-7-5-8-12-29)22-37(50)48(4)18-17-47(3)16-15-32-24-41-26-43-32;1-5-14-33(43)35(45)31(22-28-17-12-9-13-18-28)39-37(47)32(24-30-25-48-26-38-30)40-36(46)29(21-27-15-10-8-11-16-27)23-34(44)41(4)19-20-42(6-2)7-3;1-5-12-32(42)34(44)30(20-27-15-10-7-11-16-27)39-36(46)31(22-29-23-47-24-38-29)40-35(45)28(19-26-13-8-6-9-14-26)21-33(43)41(4)18-17-37-25(2)3;1-5-13-32(42)34(44)30(21-27-16-11-8-12-17-27)38-36(46)31(23-29-24-47-25-37-29)39-35(45)28(20-26-14-9-7-10-15-26)22-33(43)41(4)19-18-40(3)6-2;1-7-29(36(45)38-31(23-28-16-12-9-13-17-28)34(43)32(41)22-26(2)3)25-37-35(44)30(19-18-27-14-10-8-11-15-27)24-33(42)40(6)21-20-39(4)5;1-5-12-31(41)33(43)29(20-26-15-10-7-11-16-26)37-35(45)30(22-28-23-46-24-36-28)38-34(44)27(19-25-13-8-6-9-14-25)21-32(42)40(4)18-17-39(2)3;1-7-28(33(42)37-29(23-27-16-12-9-13-17-27)32(41)30(40)22-25(2)3)24-36-34(43)31(19-18-26-14-10-8-11-15-26)45-35(44)39(6)21-20-38(4)5;1-5-12-29(40)31(41)27(19-24-13-8-6-9-14-24)36-32(42)28(21-26-22-46-23-35-26)37-33(43)30(20-25-15-10-7-11-16-25)45-34(44)39(4)18-17-38(2)3;1-4-11-30(40)32(42)28(19-25-14-9-6-10-15-25)37-34(44)29(21-27-22-45-23-36-27)38-33(43)26(18-24-12-7-5-8-13-24)20-31(41)39(3)17-16-35-2/h5,7-8,11-12,24-28,30-31,34-36,38,49,51H,6,9-10,13-23H2,1-4H3,(H,41,43)(H,42,44)(H,45,53)(H,46,52);1,8,10-11,15-16,25-26,28-29,31-33,35,43,45H,6-7,9,12-14,17-24H2,2-4H3,(H,39,47)(H,40,46);1,6,8-9,13-14,23-25,27-28,30-32,34,37,42,44H,7,10-12,15-22H2,2-4H3,(H,39,46)(H,40,45);1,7,9-10,14-15,24-25,27-28,30-32,34,42,44H,6,8,11-13,16-23H2,2-4H3,(H,38,46)(H,39,45);8,10-11,14-15,26,28-32,34,41,43H,7,9,12-13,16-25H2,1-6H3,(H,37,44)(H,38,45);1,6,8-9,13-14,23-24,26-27,29-31,33,41,43H,7,10-12,15-22H2,2-4H3,(H,37,45)(H,38,44);8,10-11,14-15,25,27-32,40-41H,7,9,12-13,16-24H2,1-6H3,(H,36,43)(H,37,42);1,7,10-11,15-16,22-24,27-31,40-41H,6,8-9,12-14,17-21H2,2-4H3,(H,36,42)(H,37,43);1,5,7-8,12-13,22-23,25-26,28-30,32,35,40,42H,6,9-11,14-21H2,2-3H3,(H,37,44)(H,38,43)/t31-,34+,35+,36+,38-;29-,31+,32+,33+,35-;2*28-,30+,31+,32+,34-;29-,30?,31+,32+,34-;27-,29+,30+,31+,33-;28-,29+,30+,31+,32-;27-,28-,29-,30-,31+;26-,28+,29+,30+,32-/m111111101/s1.
What are the key properties of (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide?
(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide has a molecular weight of 5966.18 g/mol, XLogP of 28.33, 172 rotatable bonds, 40 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(diethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-[2-(1H-imidazol-5-yl)ethyl-methylamino]ethyl]-N'-methylbutanediamide;[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-yn-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;[(2S)-1-[[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]amino]-1-oxo-4-phenylbutan-2-yl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate;(2R)-N-[(2R)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]carbamoyl]butyl]-N'-[2-(dimethylamino)ethyl]-N'-methyl-2-(2-phenylethyl)butanediamide is sourced from PubChem (CID 161142372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).