(2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide

C214H265F12N33O42 — CID 161477451

IUPAC(2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide
SMILESCCc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@@H](C)C[C@H]3C(=O)O[C@H]2C)cc1.COc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)cc1C.C[C@@H]1C[C@H]2C(=O)O[C@@H](C)[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc(N(C)C)cc3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1.C[C@@H]1C[C@H]2C(=O)O[C@@H](C)[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc4nc[nH]c4c3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1.C[C@H]1C[C@H]2C(=O)O[C@@H](C)[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc(OC(C)(F)F)cc3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1
InChIInChI=1S/C43H52F4N6O9.C43H55F2N7O8.C43H54F2N6O9.C43H54F2N6O8.C42H50F2N8O8/c1-23-16-34-42(60)61-25(3)36(41(59)52-15-7-9-33(52)40(58)51-14-6-5-8-32(51)38(56)48-24(2)39(57)53(34)22-23)50-37(55)31(19-27-17-28(44)21-29(45)18-27)49-35(54)20-26-10-12-30(13-11-26)62-43(4,46)47;1-24-17-35-43(59)60-26(3)37(42(58)51-16-8-10-34(51)41(57)50-15-7-6-9-33(50)39(55)46-25(2)40(56)52(35)23-24)48-38(54)32(20-28-18-29(44)22-30(45)19-28)47-36(53)21-27-11-13-31(14-12-27)49(4)5;1-23-15-34-43(58)60-26(4)37(42(57)50-14-8-10-33(50)41(56)49-13-7-6-9-32(49)39(54)46-25(3)40(55)51(34)22-23)48-38(53)31(19-28-17-29(44)21-30(45)18-28)47-36(52)20-27-11-12-35(59-5)24(2)16-27;1-5-27-11-13-28(14-12-27)21-36(52)47-32(20-29-18-30(44)22-31(45)19-29)38(53)48-37-26(4)59-43(58)35-17-24(2)23-51(35)40(55)25(3)46-39(54)33-9-6-7-15-49(33)41(56)34-10-8-16-50(34)42(37)57;1-22-13-34-42(59)60-24(3)36(41(58)51-12-6-8-33(51)40(57)50-11-5-4-7-32(50)38(55)47-23(2)39(56)52(34)20-22)49-37(54)31(17-26-14-27(43)19-28(44)15-26)48-35(53)18-25-9-10-29-30(16-25)46-21-45-29/h10-13,17-18,21,23-25,31-34,36H,5-9,14-16,19-20,22H2,1-4H3,(H,48,56)(H,49,54)(H,50,55);11-14,18-19,22,24-26,32-35,37H,6-10,15-17,20-21,23H2,1-5H3,(H,46,55)(H,47,53)(H,48,54);11-12,16-18,21,23,25-26,31-34,37H,6-10,13-15,19-20,22H2,1-5H3,(H,46,54)(H,47,52)(H,48,53);11-14,18-19,22,24-26,32-35,37H,5-10,15-17,20-21,23H2,1-4H3,(H,46,54)(H,47,52)(H,48,53);9-10,14-16,19,21-24,31-34,36H,4-8,11-13,17-18,20H2,1-3H3,(H,45,46)(H,47,55)(H,48,53)(H,49,54)/t23-,24-,25-,31-,32-,33-,34-,36-;24-,25+,26+,32+,33+,34+,35+,37+;23-,25+,26+,31+,32+,33+,34+,37+;24-,25-,26-,32-,33-,34-,35-,37-;22-,23+,24+,31+,32+,33+,34+,36+/m01101/s1
InChIKeyWDXBPEHNLYXXBT-GYZPRICRSA-N
MW4199.64 g/mol
LogP10.71
Rot. Bonds40

About (2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide

(2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide (PubChem CID 161477451) has the molecular formula C214H265F12N33O42 and a molecular weight of 4199.64 g/mol. Its IUPAC name is (2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide
PubChem CID161477451
Molecular FormulaC214H265F12N33O42
Molecular Weight4199.64 g/mol
Exact Mass4196.94
IUPAC Name(2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide
SMILESCCc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@@H](C)C[C@H]3C(=O)O[C@H]2C)cc1.COc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)cc1C.C[C@@H]1C[C@H]2C(=O)O[C@@H](C)[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc(N(C)C)cc3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1.C[C@@H]1C[C@H]2C(=O)O[C@@H](C)[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc4nc[nH]c4c3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1.C[C@H]1C[C@H]2C(=O)O[C@@H](C)[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc(OC(C)(F)F)cc3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1
InChIInChI=1S/C43H52F4N6O9.C43H55F2N7O8.C43H54F2N6O9.C43H54F2N6O8.C42H50F2N8O8/c1-23-16-34-42(60)61-25(3)36(41(59)52-15-7-9-33(52)40(58)51-14-6-5-8-32(51)38(56)48-24(2)39(57)53(34)22-23)50-37(55)31(19-27-17-28(44)21-29(45)18-27)49-35(54)20-26-10-12-30(13-11-26)62-43(4,46)47;1-24-17-35-43(59)60-26(3)37(42(58)51-16-8-10-34(51)41(57)50-15-7-6-9-33(50)39(55)46-25(2)40(56)52(35)23-24)48-38(54)32(20-28-18-29(44)22-30(45)19-28)47-36(53)21-27-11-13-31(14-12-27)49(4)5;1-23-15-34-43(58)60-26(4)37(42(57)50-14-8-10-33(50)41(56)49-13-7-6-9-32(49)39(54)46-25(3)40(55)51(34)22-23)48-38(53)31(19-28-17-29(44)21-30(45)18-28)47-36(52)20-27-11-12-35(59-5)24(2)16-27;1-5-27-11-13-28(14-12-27)21-36(52)47-32(20-29-18-30(44)22-31(45)19-29)38(53)48-37-26(4)59-43(58)35-17-24(2)23-51(35)40(55)25(3)46-39(54)33-9-6-7-15-49(33)41(56)34-10-8-16-50(34)42(37)57;1-22-13-34-42(59)60-24(3)36(41(58)51-12-6-8-33(51)40(57)50-11-5-4-7-32(50)38(55)47-23(2)39(56)52(34)20-22)49-37(54)31(17-26-14-27(43)19-28(44)15-26)48-35(53)18-25-9-10-29-30(16-25)46-21-45-29/h10-13,17-18,21,23-25,31-34,36H,5-9,14-16,19-20,22H2,1-4H3,(H,48,56)(H,49,54)(H,50,55);11-14,18-19,22,24-26,32-35,37H,6-10,15-17,20-21,23H2,1-5H3,(H,46,55)(H,47,53)(H,48,54);11-12,16-18,21,23,25-26,31-34,37H,6-10,13-15,19-20,22H2,1-5H3,(H,46,54)(H,47,52)(H,48,53);11-14,18-19,22,24-26,32-35,37H,5-10,15-17,20-21,23H2,1-4H3,(H,46,54)(H,47,52)(H,48,53);9-10,14-16,19,21-24,31-34,36H,4-8,11-13,17-18,20H2,1-3H3,(H,45,46)(H,47,55)(H,48,53)(H,49,54)/t23-,24-,25-,31-,32-,33-,34-,36-;24-,25+,26+,32+,33+,34+,35+,37+;23-,25+,26+,31+,32+,33+,34+,37+;24-,25-,26-,32-,33-,34-,35-,37-;22-,23+,24+,31+,32+,33+,34+,36+/m01101/s1
InChIKeyWDXBPEHNLYXXBT-GYZPRICRSA-N
XLogP10.71
TPSA923.03 Ų
H-Bond Donors16
H-Bond Acceptors44
Rotatable Bonds40
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004199.64
LogP ≤ 510.71
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1044

Analyze (2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide with MolForge

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Related Compounds

methyl N-[(2S,3R)-1-[(2R,3R,5S)-5-[5-[6-[(2S,4S)-4-(difluoromethoxymethyl)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-2,3-dimethylpyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 118569330
methyl N-[3-[5-[6-[1-[3-(difluoromethoxy)-2-[(methoxycarbonylamino)methyl]butanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-7-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate
CID 123230451
methyl N-[(2S,3R)-1-[(3S)-3-[5-[6-[(2S,4S)-4-(difluoromethoxymethyl)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 139299949
methyl N-[(2S,3R)-1-[(1R,3S,5R)-3-[5-[6-[(2S,4S)-4-(difluoromethoxymethyl)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 139299952
methyl N-[(2S,3S)-1-[(3S,5R)-3-[5-[6-[(2S,4S)-4-(difluoromethoxymethyl)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-1-azabicyclo[3.1.0]hexan-5-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 140620222
CID 159167822
CID 159167822
(1S,5R)-N-[[5-(1,1-difluoroethyl)-1-methylbenzimidazol-2-yl]methyl]-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;[3-[4-(1,1-difluoroethyl)phenoxy]pyrrolidin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone;[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone;[3-[3-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone;[4-[3-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone;[(3S)-3-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]methyl]pyrrolidin-1-yl]-[(1R,5S)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone
CID 160124193
(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;bis((2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,19S,22S)-10,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(4-methylphenyl)acetyl]amino]propanamide);(2S)-N-[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(1-methylindol-6-yl)acetyl]amino]-3-phenylpropanamide
CID 161609537
methyl N-[(3S,6S,8aR)-3-[5-[6-[(2S,4S)-1-[(2S,3R)-3-methoxy-2-(1-methoxyethenylamino)butanoyl]-4-(methoxymethyl)pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-7-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate
CID 67681900
methyl N-[(3R)-1-[(2S)-2-[5-[8-[2-[(2S,5R)-5-ethyl-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6H-benzo[c]chromen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 67682716
methyl N-[(2S,3R)-1-[(2S,4S)-2-[17-[2-[(3S,6S,8aR)-6-(methoxycarbonylamino)-7-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 89659608
methyl N-[(1R)-2-[(2S,4S)-2-[17-[2-[(1R,3S)-2-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 89683385

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide?
The IUPAC name of (2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide (CID 161477451) is (2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide.
What is the SMILES notation for (2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide?
The canonical SMILES for (2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide is CCc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@@H](C)C[C@H]3C(=O)O[C@H]2C)cc1.COc1ccc(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@@H]2C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)cc1C.C[C@@H]1C[C@H]2C(=O)O[C@@H](C)[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc(N(C)C)cc3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1.C[C@@H]1C[C@H]2C(=O)O[C@@H](C)[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc4nc[nH]c4c3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1.C[C@H]1C[C@H]2C(=O)O[C@@H](C)[C@H](NC(=O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cc3ccc(OC(C)(F)F)cc3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1.
What is the InChIKey of (2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide?
The InChIKey is WDXBPEHNLYXXBT-GYZPRICRSA-N. The full InChI is InChI=1S/C43H52F4N6O9.C43H55F2N7O8.C43H54F2N6O9.C43H54F2N6O8.C42H50F2N8O8/c1-23-16-34-42(60)61-25(3)36(41(59)52-15-7-9-33(52)40(58)51-14-6-5-8-32(51)38(56)48-24(2)39(57)53(34)22-23)50-37(55)31(19-27-17-28(44)21-29(45)18-27)49-35(54)20-26-10-12-30(13-11-26)62-43(4,46)47;1-24-17-35-43(59)60-26(3)37(42(58)51-16-8-10-34(51)41(57)50-15-7-6-9-33(50)39(55)46-25(2)40(56)52(35)23-24)48-38(54)32(20-28-18-29(44)22-30(45)19-28)47-36(53)21-27-11-13-31(14-12-27)49(4)5;1-23-15-34-43(58)60-26(4)37(42(57)50-14-8-10-33(50)41(56)49-13-7-6-9-32(49)39(54)46-25(3)40(55)51(34)22-23)48-38(53)31(19-28-17-29(44)21-30(45)18-28)47-36(52)20-27-11-12-35(59-5)24(2)16-27;1-5-27-11-13-28(14-12-27)21-36(52)47-32(20-29-18-30(44)22-31(45)19-29)38(53)48-37-26(4)59-43(58)35-17-24(2)23-51(35)40(55)25(3)46-39(54)33-9-6-7-15-49(33)41(56)34-10-8-16-50(34)42(37)57;1-22-13-34-42(59)60-24(3)36(41(58)51-12-6-8-33(51)40(57)50-11-5-4-7-32(50)38(55)47-23(2)39(56)52(34)20-22)49-37(54)31(17-26-14-27(43)19-28(44)15-26)48-35(53)18-25-9-10-29-30(16-25)46-21-45-29/h10-13,17-18,21,23-25,31-34,36H,5-9,14-16,19-20,22H2,1-4H3,(H,48,56)(H,49,54)(H,50,55);11-14,18-19,22,24-26,32-35,37H,6-10,15-17,20-21,23H2,1-5H3,(H,46,55)(H,47,53)(H,48,54);11-12,16-18,21,23,25-26,31-34,37H,6-10,13-15,19-20,22H2,1-5H3,(H,46,54)(H,47,52)(H,48,53);11-14,18-19,22,24-26,32-35,37H,5-10,15-17,20-21,23H2,1-4H3,(H,46,54)(H,47,52)(H,48,53);9-10,14-16,19,21-24,31-34,36H,4-8,11-13,17-18,20H2,1-3H3,(H,45,46)(H,47,55)(H,48,53)(H,49,54)/t23-,24-,25-,31-,32-,33-,34-,36-;24-,25+,26+,32+,33+,34+,35+,37+;23-,25+,26+,31+,32+,33+,34+,37+;24-,25-,26-,32-,33-,34-,35-,37-;22-,23+,24+,31+,32+,33+,34+,36+/m01101/s1.
What are the key properties of (2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide?
(2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide has a molecular weight of 4199.64 g/mol, XLogP of 10.71, 40 rotatable bonds, 16 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3H-benzimidazol-5-yl)acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-2-[[2-[4-(1,1-difluoroethoxy)phenyl]acetyl]amino]-3-(3,5-difluorophenyl)-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-ethylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15S,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide;(2S)-3-(3,5-difluorophenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-N-[(3S,9S,10S,13S,15R,19S,22S)-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide is sourced from PubChem (CID 161477451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).