N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide

C161H248N106O46 — CID 158425005

IUPACN-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide
SMILESCN(C)c1ccc(CNC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N)C(N)=O)c2ccccc2)cc1.COc1ccc(CNC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N)C(N)=O)c2ccccc2)c(OC)c1.COc1ccc(CNC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N)C(N)=O)c2ccccc2)cc1.COc1ccc(O)c(CNC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N)C(N)=O)c2ccccc2)c1.NC(=O)C(N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(NC(=O)C(O)NCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C33H52N22O8.C33H51N21O10.C32H49N21O10.C32H49N21O9.C31H47N21O9/c1-55(2)15-10-8-13(9-11-15)12-44-28(62)29(63)45-16(14-6-4-3-5-7-14)23(57)47-20(52-31(38)39)25(59)49-22(54-33(42)43)27(61)50-21(53-32(40)41)26(60)48-19(51-30(36)37)24(58)46-17(34)18(35)56;1-63-14-9-8-13(15(10-14)64-2)11-44-28(61)29(62)45-16(12-6-4-3-5-7-12)23(56)47-20(52-31(38)39)25(58)49-22(54-33(42)43)27(60)50-21(53-32(40)41)26(59)48-19(51-30(36)37)24(57)46-17(34)18(35)55;1-63-13-7-8-14(54)12(9-13)10-43-27(61)28(62)44-15(11-5-3-2-4-6-11)22(56)46-19(51-30(37)38)24(58)48-21(53-32(41)42)26(60)49-20(52-31(39)40)25(59)47-18(50-29(35)36)23(57)45-16(33)17(34)55;1-62-14-9-7-12(8-10-14)11-43-27(60)28(61)44-15(13-5-3-2-4-6-13)22(55)46-19(51-30(37)38)24(57)48-21(53-32(41)42)26(59)49-20(52-31(39)40)25(58)47-18(50-29(35)36)23(56)45-16(33)17(34)54;32-15(16(33)54)44-22(56)17(49-28(34)35)46-24(58)19(51-30(38)39)48-25(59)20(52-31(40)41)47-23(57)18(50-29(36)37)45-21(55)14(12-4-2-1-3-5-12)43-27(61)26(60)42-10-11-6-8-13(53)9-7-11/h3-11,16-17,19-22,28,44,62H,12,34H2,1-2H3,(H2,35,56)(H,45,63)(H,46,58)(H,47,57)(H,48,60)(H,49,59)(H,50,61)(H4,36,37,51)(H4,38,39,52)(H4,40,41,53)(H4,42,43,54);3-10,16-17,19-22,28,44,61H,11,34H2,1-2H3,(H2,35,55)(H,45,62)(H,46,57)(H,47,56)(H,48,59)(H,49,58)(H,50,60)(H4,36,37,51)(H4,38,39,52)(H4,40,41,53)(H4,42,43,54);2-9,15-16,18-21,27,43,54,61H,10,33H2,1H3,(H2,34,55)(H,44,62)(H,45,57)(H,46,56)(H,47,59)(H,48,58)(H,49,60)(H4,35,36,50)(H4,37,38,51)(H4,39,40,52)(H4,41,42,53);2-10,15-16,18-21,27,43,60H,11,33H2,1H3,(H2,34,54)(H,44,61)(H,45,56)(H,46,55)(H,47,58)(H,48,57)(H,49,59)(H4,35,36,50)(H4,37,38,51)(H4,39,40,52)(H4,41,42,53);1-9,14-15,17-20,26,42,53,60H,10,32H2,(H2,33,54)(H,43,61)(H,44,56)(H,45,55)(H,46,58)(H,47,57)(H,48,59)(H4,34,35,49)(H4,36,37,50)(H4,38,39,51)(H4,40,41,52)
InChIKeyHAYDNCAGTRJNTD-UHFFFAOYSA-N
MW4404.45 g/mol
LogP-51.98
Rot. Bonds110

About N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide

N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide (PubChem CID 158425005) has the molecular formula C161H248N106O46 and a molecular weight of 4404.45 g/mol. Its IUPAC name is N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide
PubChem CID158425005
Molecular FormulaC161H248N106O46
Molecular Weight4404.45 g/mol
Exact Mass4402.03
IUPAC NameN-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide
SMILESCN(C)c1ccc(CNC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N)C(N)=O)c2ccccc2)cc1.COc1ccc(CNC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N)C(N)=O)c2ccccc2)c(OC)c1.COc1ccc(CNC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N)C(N)=O)c2ccccc2)cc1.COc1ccc(O)c(CNC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N)C(N)=O)c2ccccc2)c1.NC(=O)C(N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(NC(=O)C(O)NCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C33H52N22O8.C33H51N21O10.C32H49N21O10.C32H49N21O9.C31H47N21O9/c1-55(2)15-10-8-13(9-11-15)12-44-28(62)29(63)45-16(14-6-4-3-5-7-14)23(57)47-20(52-31(38)39)25(59)49-22(54-33(42)43)27(61)50-21(53-32(40)41)26(60)48-19(51-30(36)37)24(58)46-17(34)18(35)56;1-63-14-9-8-13(15(10-14)64-2)11-44-28(61)29(62)45-16(12-6-4-3-5-7-12)23(56)47-20(52-31(38)39)25(58)49-22(54-33(42)43)27(60)50-21(53-32(40)41)26(59)48-19(51-30(36)37)24(57)46-17(34)18(35)55;1-63-13-7-8-14(54)12(9-13)10-43-27(61)28(62)44-15(11-5-3-2-4-6-11)22(56)46-19(51-30(37)38)24(58)48-21(53-32(41)42)26(60)49-20(52-31(39)40)25(59)47-18(50-29(35)36)23(57)45-16(33)17(34)55;1-62-14-9-7-12(8-10-14)11-43-27(60)28(61)44-15(13-5-3-2-4-6-13)22(55)46-19(51-30(37)38)24(57)48-21(53-32(41)42)26(59)49-20(52-31(39)40)25(58)47-18(50-29(35)36)23(56)45-16(33)17(34)54;32-15(16(33)54)44-22(56)17(49-28(34)35)46-24(58)19(51-30(38)39)48-25(59)20(52-31(40)41)47-23(57)18(50-29(36)37)45-21(55)14(12-4-2-1-3-5-12)43-27(61)26(60)42-10-11-6-8-13(53)9-7-11/h3-11,16-17,19-22,28,44,62H,12,34H2,1-2H3,(H2,35,56)(H,45,63)(H,46,58)(H,47,57)(H,48,60)(H,49,59)(H,50,61)(H4,36,37,51)(H4,38,39,52)(H4,40,41,53)(H4,42,43,54);3-10,16-17,19-22,28,44,61H,11,34H2,1-2H3,(H2,35,55)(H,45,62)(H,46,57)(H,47,56)(H,48,59)(H,49,58)(H,50,60)(H4,36,37,51)(H4,38,39,52)(H4,40,41,53)(H4,42,43,54);2-9,15-16,18-21,27,43,54,61H,10,33H2,1H3,(H2,34,55)(H,44,62)(H,45,57)(H,46,56)(H,47,59)(H,48,58)(H,49,60)(H4,35,36,50)(H4,37,38,51)(H4,39,40,52)(H4,41,42,53);2-10,15-16,18-21,27,43,60H,11,33H2,1H3,(H2,34,54)(H,44,61)(H,45,56)(H,46,55)(H,47,58)(H,48,57)(H,49,59)(H4,35,36,50)(H4,37,38,51)(H4,39,40,52)(H4,41,42,53);1-9,14-15,17-20,26,42,53,60H,10,32H2,(H2,33,54)(H,43,61)(H,44,56)(H,45,55)(H,46,58)(H,47,57)(H,48,59)(H4,34,35,49)(H4,36,37,50)(H4,38,39,51)(H4,40,41,52)
InChIKeyHAYDNCAGTRJNTD-UHFFFAOYSA-N
XLogP-51.98
TPSA2748.47 Ų
H-Bond Donors92
H-Bond Acceptors77
Rotatable Bonds110
Heavy Atoms313
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004404.45
LogP ≤ 5-51.98
H-Bond Donors ≤ 592
H-Bond Acceptors ≤ 1077

Analyze N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide with MolForge

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Related Compounds

3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide
CID 59385850
N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]quinoline-2-carboxamide
CID 59385824
(2R)-2-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propan-2-ylacetamide
CID 94640724
[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-1-(diaminomethylideneamino)-2-oxoethyl]amino]-1-(diaminomethylideneamino)-2-oxoethyl]amino]-1-(diaminomethylideneamino)-2-oxoethyl]amino]-1-(diaminomethylideneamino)-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]amino]-5-(trichloromethyl)-3-pyridinyl]-methylidyneazanium
CID 59386040
N-[2-[[2-[[2-[[2-amino-1-(diaminomethylideneamino)-2-oxoethyl]amino]-1-(diaminomethylideneamino)-2-oxoethyl]amino]-1-(diaminomethylideneamino)-2-oxoethyl]amino]-1-(diaminomethylideneamino)-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide
CID 59386004
2-[[1-[[2-[[2-[[2-[[2-[[2-amino-1-(diaminomethylideneamino)-2-oxoethyl]amino]-1-(1-aminoethylideneamino)-2-oxoethyl]amino]-1-(diaminomethylideneamino)-2-oxoethyl]amino]-1-(diaminomethylideneamino)-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-3,5-dinitrobenzoic acid
CID 159433966
N-[2-[[2-[[2-[[2-amino-1-(diaminomethylideneamino)-2-oxoethyl]amino]-1-(diaminomethylideneamino)-2-oxoethyl]amino]-1-(diaminomethylideneamino)-2-oxoethyl]amino]-1-(diaminomethylideneamino)-2-oxoethyl]-2-[[2-[[(Z)-3-[4-(dimethylamino)phenyl]prop-2-enyl]-pyrimidin-2-ylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide
CID 59386074
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
CID 17052931
2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide
CID 59991720
2-[[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]amino]-5-nitrobenzoic acid
CID 59386079
2-[(2-methoxy-5-methylphenyl)methylamino]-2-phenylacetamide
CID 56811840
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592

Frequently Asked Questions

What is the IUPAC name of N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide?
The IUPAC name of N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide (CID 158425005) is N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide.
What is the SMILES notation for N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide?
The canonical SMILES for N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide is CN(C)c1ccc(CNC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N)C(N)=O)c2ccccc2)cc1.COc1ccc(CNC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N)C(N)=O)c2ccccc2)c(OC)c1.COc1ccc(CNC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N)C(N)=O)c2ccccc2)cc1.COc1ccc(O)c(CNC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N)C(N)=O)c2ccccc2)c1.NC(=O)C(N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(NC(=O)C(O)NCc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide?
The InChIKey is HAYDNCAGTRJNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52N22O8.C33H51N21O10.C32H49N21O10.C32H49N21O9.C31H47N21O9/c1-55(2)15-10-8-13(9-11-15)12-44-28(62)29(63)45-16(14-6-4-3-5-7-14)23(57)47-20(52-31(38)39)25(59)49-22(54-33(42)43)27(61)50-21(53-32(40)41)26(60)48-19(51-30(36)37)24(58)46-17(34)18(35)56;1-63-14-9-8-13(15(10-14)64-2)11-44-28(61)29(62)45-16(12-6-4-3-5-7-12)23(56)47-20(52-31(38)39)25(58)49-22(54-33(42)43)27(60)50-21(53-32(40)41)26(59)48-19(51-30(36)37)24(57)46-17(34)18(35)55;1-63-13-7-8-14(54)12(9-13)10-43-27(61)28(62)44-15(11-5-3-2-4-6-11)22(56)46-19(51-30(37)38)24(58)48-21(53-32(41)42)26(60)49-20(52-31(39)40)25(59)47-18(50-29(35)36)23(57)45-16(33)17(34)55;1-62-14-9-7-12(8-10-14)11-43-27(60)28(61)44-15(13-5-3-2-4-6-13)22(55)46-19(51-30(37)38)24(57)48-21(53-32(41)42)26(59)49-20(52-31(39)40)25(58)47-18(50-29(35)36)23(56)45-16(33)17(34)54;32-15(16(33)54)44-22(56)17(49-28(34)35)46-24(58)19(51-30(38)39)48-25(59)20(52-31(40)41)47-23(57)18(50-29(36)37)45-21(55)14(12-4-2-1-3-5-12)43-27(61)26(60)42-10-11-6-8-13(53)9-7-11/h3-11,16-17,19-22,28,44,62H,12,34H2,1-2H3,(H2,35,56)(H,45,63)(H,46,58)(H,47,57)(H,48,60)(H,49,59)(H,50,61)(H4,36,37,51)(H4,38,39,52)(H4,40,41,53)(H4,42,43,54);3-10,16-17,19-22,28,44,61H,11,34H2,1-2H3,(H2,35,55)(H,45,62)(H,46,57)(H,47,56)(H,48,59)(H,49,58)(H,50,60)(H4,36,37,51)(H4,38,39,52)(H4,40,41,53)(H4,42,43,54);2-9,15-16,18-21,27,43,54,61H,10,33H2,1H3,(H2,34,55)(H,44,62)(H,45,57)(H,46,56)(H,47,59)(H,48,58)(H,49,60)(H4,35,36,50)(H4,37,38,51)(H4,39,40,52)(H4,41,42,53);2-10,15-16,18-21,27,43,60H,11,33H2,1H3,(H2,34,54)(H,44,61)(H,45,56)(H,46,55)(H,47,58)(H,48,57)(H,49,59)(H4,35,36,50)(H4,37,38,51)(H4,39,40,52)(H4,41,42,53);1-9,14-15,17-20,26,42,53,60H,10,32H2,(H2,33,54)(H,43,61)(H,44,56)(H,45,55)(H,46,58)(H,47,57)(H,48,59)(H4,34,35,49)(H4,36,37,50)(H4,38,39,51)(H4,40,41,52).
What are the key properties of N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide?
N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide has a molecular weight of 4404.45 g/mol, XLogP of -51.98, 110 rotatable bonds, 92 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[[4-(dimethylamino)phenyl]methylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-hydroxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide;N-[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-hydroxy-2-[(4-methoxyphenyl)methylamino]acetyl]amino]-2-phenylacetamide is sourced from PubChem (CID 158425005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).