5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate

C282H363N61O71 — CID 158226824

IUPAC5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate
SMILESCCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CC(CCCCNC(=O)CCCO[N+](=O)[O-])C(=O)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CC(Cc1ccccc1)C(=O)OCCCCC(O[N+](=O)[O-])O[N+](=O)[O-])C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CCC(=O)OCCCC(O[N+](=O)[O-])C(O[N+](=O)[O-])O[N+](=O)[O-])C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CCC(=O)OCCCCC(C)O[N+](=O)[O-])C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CCC(=O)OCCCCO[N+](=O)[O-])C(C)C.CCCCc1nc2cccc(C(=O)CCC(=O)OCCCCO[N+](=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc(C(C)(C)O)c(C(=O)CC(CCCN=C(N)N)C(=O)OCCCCO[N+](=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[H]/N=C(\N)CCCCC(CC(=O)C(C(C)C)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)CCCC)C(=O)OCCCCC(C)O[N+](=O)[O-]
InChIInChI=1S/C41H57N9O14.C39H47N7O10.C38H54N8O7.C35H46N10O7.C33H35N7O6.C33H44N6O7.C32H40N8O13.C31H40N6O7/c1-4-5-18-38(53)47(27-30-19-21-31(22-20-30)34-15-6-7-16-35(34)40-43-45-46-44-40)39(29(2)3)36(51)26-32(13-8-10-23-42-37(52)17-12-25-62-48(55)56)41(54)61-24-11-9-14-33(64-50(59)60)28-63-49(57)58;1-4-5-17-35(48)44(26-29-19-21-30(22-20-29)32-15-9-10-16-33(32)38-40-42-43-41-38)37(27(2)3)34(47)25-31(24-28-13-7-6-8-14-28)39(49)54-23-12-11-18-36(55-45(50)51)56-46(52)53;1-5-6-18-35(48)45(25-28-19-21-29(22-20-28)31-15-8-9-16-32(31)37-41-43-44-42-37)36(26(2)3)33(47)24-30(14-7-10-17-34(39)40)38(49)52-23-12-11-13-27(4)53-46(50)51;1-4-10-29-39-31(35(2,3)48)30(28(46)21-25(11-9-18-38-34(36)37)33(47)51-19-7-8-20-52-45(49)50)44(29)22-23-14-16-24(17-15-23)26-12-5-6-13-27(26)32-40-42-43-41-32;1-2-3-13-30-34-28-12-8-11-27(29(41)18-19-31(42)45-20-6-7-21-46-40(43)44)32(28)39(30)22-23-14-16-24(17-15-23)25-9-4-5-10-26(25)33-35-37-38-36-33;1-5-6-14-30(41)38(22-25-15-17-26(18-16-25)27-12-7-8-13-28(27)33-34-36-37-35-33)32(23(2)3)29(40)19-20-31(42)45-21-10-9-11-24(4)46-39(43)44;1-4-5-12-28(42)37(20-22-13-15-23(16-14-22)24-9-6-7-10-25(24)31-33-35-36-34-31)30(21(2)3)26(41)17-18-29(43)50-19-8-11-27(51-38(44)45)32(52-39(46)47)53-40(48)49;1-4-5-12-28(39)36(30(22(2)3)27(38)17-18-29(40)43-19-8-9-20-44-37(41)42)21-23-13-15-24(16-14-23)25-10-6-7-11-26(25)31-32-34-35-33-31/h6-7,15-16,19-22,29,32-33,39H,4-5,8-14,17-18,23-28H2,1-3H3,(H,42,52)(H,43,44,45,46);6-10,13-16,19-22,27,31,36-37H,4-5,11-12,17-18,23-26H2,1-3H3,(H,40,41,42,43);8-9,15-16,19-22,26-27,30,36H,5-7,10-14,17-18,23-25H2,1-4H3,(H3,39,40)(H,41,42,43,44);5-6,12-17,25,48H,4,7-11,18-22H2,1-3H3,(H4,36,37,38)(H,40,41,42,43);4-5,8-12,14-17H,2-3,6-7,13,18-22H2,1H3,(H,35,36,37,38);7-8,12-13,15-18,23-24,32H,5-6,9-11,14,19-22H2,1-4H3,(H,34,35,36,37);6-7,9-10,13-16,21,27,30,32H,4-5,8,11-12,17-20H2,1-3H3,(H,33,34,35,36);6-7,10-11,13-16,22,30H,4-5,8-9,12,17-21H2,1-3H3,(H,32,33,34,35)
InChIKeyGDWYGVZZFURMEG-UHFFFAOYSA-N
MW5743.36 g/mol
LogP42.50
Rot. Bonds183

About 5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate

5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate (PubChem CID 158226824) has the molecular formula C282H363N61O71 and a molecular weight of 5743.36 g/mol. Its IUPAC name is 5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate.

Molecular Properties

Compound Name5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate
PubChem CID158226824
Molecular FormulaC282H363N61O71
Molecular Weight5743.36 g/mol
Exact Mass5739.67
IUPAC Name5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate
SMILESCCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CC(CCCCNC(=O)CCCO[N+](=O)[O-])C(=O)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CC(Cc1ccccc1)C(=O)OCCCCC(O[N+](=O)[O-])O[N+](=O)[O-])C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CCC(=O)OCCCC(O[N+](=O)[O-])C(O[N+](=O)[O-])O[N+](=O)[O-])C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CCC(=O)OCCCCC(C)O[N+](=O)[O-])C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CCC(=O)OCCCCO[N+](=O)[O-])C(C)C.CCCCc1nc2cccc(C(=O)CCC(=O)OCCCCO[N+](=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc(C(C)(C)O)c(C(=O)CC(CCCN=C(N)N)C(=O)OCCCCO[N+](=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[H]/N=C(\N)CCCCC(CC(=O)C(C(C)C)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)CCCC)C(=O)OCCCCC(C)O[N+](=O)[O-]
InChIInChI=1S/C41H57N9O14.C39H47N7O10.C38H54N8O7.C35H46N10O7.C33H35N7O6.C33H44N6O7.C32H40N8O13.C31H40N6O7/c1-4-5-18-38(53)47(27-30-19-21-31(22-20-30)34-15-6-7-16-35(34)40-43-45-46-44-40)39(29(2)3)36(51)26-32(13-8-10-23-42-37(52)17-12-25-62-48(55)56)41(54)61-24-11-9-14-33(64-50(59)60)28-63-49(57)58;1-4-5-17-35(48)44(26-29-19-21-30(22-20-29)32-15-9-10-16-33(32)38-40-42-43-41-38)37(27(2)3)34(47)25-31(24-28-13-7-6-8-14-28)39(49)54-23-12-11-18-36(55-45(50)51)56-46(52)53;1-5-6-18-35(48)45(25-28-19-21-29(22-20-28)31-15-8-9-16-32(31)37-41-43-44-42-37)36(26(2)3)33(47)24-30(14-7-10-17-34(39)40)38(49)52-23-12-11-13-27(4)53-46(50)51;1-4-10-29-39-31(35(2,3)48)30(28(46)21-25(11-9-18-38-34(36)37)33(47)51-19-7-8-20-52-45(49)50)44(29)22-23-14-16-24(17-15-23)26-12-5-6-13-27(26)32-40-42-43-41-32;1-2-3-13-30-34-28-12-8-11-27(29(41)18-19-31(42)45-20-6-7-21-46-40(43)44)32(28)39(30)22-23-14-16-24(17-15-23)25-9-4-5-10-26(25)33-35-37-38-36-33;1-5-6-14-30(41)38(22-25-15-17-26(18-16-25)27-12-7-8-13-28(27)33-34-36-37-35-33)32(23(2)3)29(40)19-20-31(42)45-21-10-9-11-24(4)46-39(43)44;1-4-5-12-28(42)37(20-22-13-15-23(16-14-22)24-9-6-7-10-25(24)31-33-35-36-34-31)30(21(2)3)26(41)17-18-29(43)50-19-8-11-27(51-38(44)45)32(52-39(46)47)53-40(48)49;1-4-5-12-28(39)36(30(22(2)3)27(38)17-18-29(40)43-19-8-9-20-44-37(41)42)21-23-13-15-24(16-14-23)25-10-6-7-11-26(25)31-32-34-35-33-31/h6-7,15-16,19-22,29,32-33,39H,4-5,8-14,17-18,23-28H2,1-3H3,(H,42,52)(H,43,44,45,46);6-10,13-16,19-22,27,31,36-37H,4-5,11-12,17-18,23-26H2,1-3H3,(H,40,41,42,43);8-9,15-16,19-22,26-27,30,36H,5-7,10-14,17-18,23-25H2,1-4H3,(H3,39,40)(H,41,42,43,44);5-6,12-17,25,48H,4,7-11,18-22H2,1-3H3,(H4,36,37,38)(H,40,41,42,43);4-5,8-12,14-17H,2-3,6-7,13,18-22H2,1H3,(H,35,36,37,38);7-8,12-13,15-18,23-24,32H,5-6,9-11,14,19-22H2,1-4H3,(H,34,35,36,37);6-7,9-10,13-16,21,27,30,32H,4-5,8,11-12,17-20H2,1-3H3,(H,33,34,35,36);6-7,10-11,13-16,22,30H,4-5,8-9,12,17-21H2,1-3H3,(H,32,33,34,35)
InChIKeyGDWYGVZZFURMEG-UHFFFAOYSA-N
XLogP42.50
TPSA1784.55 Ų
H-Bond Donors14
H-Bond Acceptors101
Rotatable Bonds183
Heavy Atoms414
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005743.36
LogP ≤ 542.50
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 10101

Analyze 5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate with MolForge

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Related Compounds

4-nitrooxybutyl 2-[2-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-2-oxoethyl]-5-(diaminomethylideneamino)pentanoate;4-nitrooxybutyl 4-[2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate
CID 123243822
bis(4-nitrooxybutyl) 2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanedioate
CID 58165158
4-nitrooxybutyl 4-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-4-oxobutanoate
CID 58165004
4-nitrooxybutyl 2-benzyl-4-[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-4-oxobutanoate
CID 58165035
2-[[2,4-dimethyl-7-oxo-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-5-yl]oxycarbonylamino]-3-(4-nitrooxybutoxycarbonyloxy)propanoic acid;5,6-dinitrooxyhexyl 2-benzyl-4-[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 2-[[2,4-dimethyl-7-oxo-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-5-yl]oxycarbonylamino]-3-(4-nitrooxybutoxycarbonyloxy)propanoate
CID 123209105
[(2R)-1-[(5S)-5,6-dinitrooxyhexoxy]-1-oxopropan-2-yl] 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 24962010
[5-[(4R)-4,5-dinitrooxypentyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 44815077
4-O-[[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl] 1-O-(4-nitrooxybutyl) (2R)-2-(4-aminobutyl)butanedioate
CID 58165177
4-[[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbonyl]amino]butyl nitrate
CID 142757068
(5,7-dinitrooxy-1-propanoyloxyheptyl) 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 24960915
4-[[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methoxy]-2-(4-nitrooxybutanoyloxymethyl)-4-oxobutanoic acid;4-[[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methoxy]-2-(4-nitrooxybutoxycarbonyloxymethyl)-4-oxobutanoic acid;4-O-[[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl] 1-O-(4-nitrooxybutyl) 2-(4-aminobutyl)butanedioate
CID 123754997
[(6S)-6-methyl-7-nitrooxyheptyl] 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 59370640

Frequently Asked Questions

What is the IUPAC name of 5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate?
The IUPAC name of 5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate (CID 158226824) is 5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate.
What is the SMILES notation for 5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate?
The canonical SMILES for 5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate is CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CC(CCCCNC(=O)CCCO[N+](=O)[O-])C(=O)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CC(Cc1ccccc1)C(=O)OCCCCC(O[N+](=O)[O-])O[N+](=O)[O-])C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CCC(=O)OCCCC(O[N+](=O)[O-])C(O[N+](=O)[O-])O[N+](=O)[O-])C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CCC(=O)OCCCCC(C)O[N+](=O)[O-])C(C)C.CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)CCC(=O)OCCCCO[N+](=O)[O-])C(C)C.CCCCc1nc2cccc(C(=O)CCC(=O)OCCCCO[N+](=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.CCCc1nc(C(C)(C)O)c(C(=O)CC(CCCN=C(N)N)C(=O)OCCCCO[N+](=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[H]/N=C(\N)CCCCC(CC(=O)C(C(C)C)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)CCCC)C(=O)OCCCCC(C)O[N+](=O)[O-].
What is the InChIKey of 5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate?
The InChIKey is GDWYGVZZFURMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H57N9O14.C39H47N7O10.C38H54N8O7.C35H46N10O7.C33H35N7O6.C33H44N6O7.C32H40N8O13.C31H40N6O7/c1-4-5-18-38(53)47(27-30-19-21-31(22-20-30)34-15-6-7-16-35(34)40-43-45-46-44-40)39(29(2)3)36(51)26-32(13-8-10-23-42-37(52)17-12-25-62-48(55)56)41(54)61-24-11-9-14-33(64-50(59)60)28-63-49(57)58;1-4-5-17-35(48)44(26-29-19-21-30(22-20-29)32-15-9-10-16-33(32)38-40-42-43-41-38)37(27(2)3)34(47)25-31(24-28-13-7-6-8-14-28)39(49)54-23-12-11-18-36(55-45(50)51)56-46(52)53;1-5-6-18-35(48)45(25-28-19-21-29(22-20-28)31-15-8-9-16-32(31)37-41-43-44-42-37)36(26(2)3)33(47)24-30(14-7-10-17-34(39)40)38(49)52-23-12-11-13-27(4)53-46(50)51;1-4-10-29-39-31(35(2,3)48)30(28(46)21-25(11-9-18-38-34(36)37)33(47)51-19-7-8-20-52-45(49)50)44(29)22-23-14-16-24(17-15-23)26-12-5-6-13-27(26)32-40-42-43-41-32;1-2-3-13-30-34-28-12-8-11-27(29(41)18-19-31(42)45-20-6-7-21-46-40(43)44)32(28)39(30)22-23-14-16-24(17-15-23)25-9-4-5-10-26(25)33-35-37-38-36-33;1-5-6-14-30(41)38(22-25-15-17-26(18-16-25)27-12-7-8-13-28(27)33-34-36-37-35-33)32(23(2)3)29(40)19-20-31(42)45-21-10-9-11-24(4)46-39(43)44;1-4-5-12-28(42)37(20-22-13-15-23(16-14-22)24-9-6-7-10-25(24)31-33-35-36-34-31)30(21(2)3)26(41)17-18-29(43)50-19-8-11-27(51-38(44)45)32(52-39(46)47)53-40(48)49;1-4-5-12-28(39)36(30(22(2)3)27(38)17-18-29(40)43-19-8-9-20-44-37(41)42)21-23-13-15-24(16-14-23)25-10-6-7-11-26(25)31-32-34-35-33-31/h6-7,15-16,19-22,29,32-33,39H,4-5,8-14,17-18,23-28H2,1-3H3,(H,42,52)(H,43,44,45,46);6-10,13-16,19-22,27,31,36-37H,4-5,11-12,17-18,23-26H2,1-3H3,(H,40,41,42,43);8-9,15-16,19-22,26-27,30,36H,5-7,10-14,17-18,23-25H2,1-4H3,(H3,39,40)(H,41,42,43,44);5-6,12-17,25,48H,4,7-11,18-22H2,1-3H3,(H4,36,37,38)(H,40,41,42,43);4-5,8-12,14-17H,2-3,6-7,13,18-22H2,1H3,(H,35,36,37,38);7-8,12-13,15-18,23-24,32H,5-6,9-11,14,19-22H2,1-4H3,(H,34,35,36,37);6-7,9-10,13-16,21,27,30,32H,4-5,8,11-12,17-20H2,1-3H3,(H,33,34,35,36);6-7,10-11,13-16,22,30H,4-5,8-9,12,17-21H2,1-3H3,(H,32,33,34,35).
What are the key properties of 5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate?
5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate has a molecular weight of 5743.36 g/mol, XLogP of 42.50, 183 rotatable bonds, 14 hydrogen bond donors, and 101 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dinitrooxyhexyl 6-methyl-2-[4-(4-nitrooxybutanoylamino)butyl]-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5,5-dinitrooxypentyl 2-benzyl-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4-nitrooxybutyl 4-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]-4-oxobutanoate;4-nitrooxybutyl 5-(diaminomethylideneamino)-2-[2-[5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-oxoethyl]pentanoate;4-nitrooxybutyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 2-(5-amino-5-iminopentyl)-6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;5-nitrooxyhexyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate;4,5,5-trinitrooxypentyl 6-methyl-4-oxo-5-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]heptanoate is sourced from PubChem (CID 158226824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).