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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide

C136H190F6N86O42 — CID 159169905

IUPACN-[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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide
SMILESCC(C)(C)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(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(N)=O)c1ccccc1.CC(C)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(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(N)=O)c1ccccc1.CCCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(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(N)=O)c1ccccc1.COc1ccc(O)c(CN(c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C(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(N)=O)c2ccccc2)c1
InChIInChI=1S/C41H48F6N20O9.C33H50N22O11.C32H48N22O11.C30H44N22O11/c1-76-17-10-11-21(68)16(12-17)14-67(20-13-22(41(45,46)47)57-24-18(20)8-5-9-19(24)40(42,43)44)35(75)34(74)58-23(15-6-3-2-4-7-15)30(70)60-27(64-37(51)52)32(72)62-29(66-39(55)56)33(73)61-28(65-38(53)54)31(71)59-26(25(48)69)63-36(49)50;1-33(2,3)9-10-53(22-15(55(65)66)11-14(12-43-22)54(63)64)28(62)27(61)44-16(13-7-5-4-6-8-13)23(57)46-19(50-30(37)38)25(59)48-21(52-32(41)42)26(60)47-20(51-31(39)40)24(58)45-18(17(34)56)49-29(35)36;1-12(2)8-9-52(22-15(54(64)65)10-14(11-42-22)53(62)63)28(61)27(60)43-16(13-6-4-3-5-7-13)23(56)45-19(49-30(36)37)25(58)47-21(51-32(40)41)26(59)46-20(50-31(38)39)24(57)44-18(17(33)55)48-29(34)35;1-2-8-50(20-13(52(62)63)9-12(10-40-20)51(60)61)26(59)25(58)41-14(11-6-4-3-5-7-11)21(54)43-17(47-28(34)35)23(56)45-19(49-30(38)39)24(57)44-18(48-29(36)37)22(55)42-16(15(31)53)46-27(32)33/h2-13,23,26-29,35,68,75H,14H2,1H3,(H2,48,69)(H,58,74)(H,59,71)(H,60,70)(H,61,73)(H,62,72)(H4,49,50,63)(H4,51,52,64)(H4,53,54,65)(H4,55,56,66);4-8,11-12,16,18-21,28,62H,9-10H2,1-3H3,(H2,34,56)(H,44,61)(H,45,58)(H,46,57)(H,47,60)(H,48,59)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52);3-7,10-12,16,18-21,28,61H,8-9H2,1-2H3,(H2,33,55)(H,43,60)(H,44,57)(H,45,56)(H,46,59)(H,47,58)(H4,34,35,48)(H4,36,37,49)(H4,38,39,50)(H4,40,41,51);3-7,9-10,14,16-19,26,59H,2,8H2,1H3,(H2,31,53)(H,41,58)(H,42,55)(H,43,54)(H,44,57)(H,45,56)(H4,32,33,46)(H4,34,35,47)(H4,36,37,48)(H4,38,39,49)
InChIKeyKLNZPXOKRMLREN-UHFFFAOYSA-N
MW3815.56 g/mol
LogP-27.91
Rot. Bonds88

About 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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide

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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide (PubChem CID 159169905) has the molecular formula C136H190F6N86O42 and a molecular weight of 3815.56 g/mol. Its IUPAC name is 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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide
PubChem CID159169905
Molecular FormulaC136H190F6N86O42
Molecular Weight3815.56 g/mol
Exact Mass3813.53
IUPAC NameN-[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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide
SMILESCC(C)(C)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(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(N)=O)c1ccccc1.CC(C)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(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(N)=O)c1ccccc1.CCCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(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(N)=O)c1ccccc1.COc1ccc(O)c(CN(c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C(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(N)=O)c2ccccc2)c1
InChIInChI=1S/C41H48F6N20O9.C33H50N22O11.C32H48N22O11.C30H44N22O11/c1-76-17-10-11-21(68)16(12-17)14-67(20-13-22(41(45,46)47)57-24-18(20)8-5-9-19(24)40(42,43)44)35(75)34(74)58-23(15-6-3-2-4-7-15)30(70)60-27(64-37(51)52)32(72)62-29(66-39(55)56)33(73)61-28(65-38(53)54)31(71)59-26(25(48)69)63-36(49)50;1-33(2,3)9-10-53(22-15(55(65)66)11-14(12-43-22)54(63)64)28(62)27(61)44-16(13-7-5-4-6-8-13)23(57)46-19(50-30(37)38)25(59)48-21(52-32(41)42)26(60)47-20(51-31(39)40)24(58)45-18(17(34)56)49-29(35)36;1-12(2)8-9-52(22-15(54(64)65)10-14(11-42-22)53(62)63)28(61)27(60)43-16(13-6-4-3-5-7-13)23(56)45-19(49-30(36)37)25(58)47-21(51-32(40)41)26(59)46-20(50-31(38)39)24(57)44-18(17(33)55)48-29(34)35;1-2-8-50(20-13(52(62)63)9-12(10-40-20)51(60)61)26(59)25(58)41-14(11-6-4-3-5-7-11)21(54)43-17(47-28(34)35)23(56)45-19(49-30(38)39)24(57)44-18(48-29(36)37)22(55)42-16(15(31)53)46-27(32)33/h2-13,23,26-29,35,68,75H,14H2,1H3,(H2,48,69)(H,58,74)(H,59,71)(H,60,70)(H,61,73)(H,62,72)(H4,49,50,63)(H4,51,52,64)(H4,53,54,65)(H4,55,56,66);4-8,11-12,16,18-21,28,62H,9-10H2,1-3H3,(H2,34,56)(H,44,61)(H,45,58)(H,46,57)(H,47,60)(H,48,59)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52);3-7,10-12,16,18-21,28,61H,8-9H2,1-2H3,(H2,33,55)(H,43,60)(H,44,57)(H,45,56)(H,46,59)(H,47,58)(H4,34,35,48)(H4,36,37,49)(H4,38,39,50)(H4,40,41,51);3-7,9-10,14,16-19,26,59H,2,8H2,1H3,(H2,31,53)(H,41,58)(H,42,55)(H,43,54)(H,44,57)(H,45,56)(H4,32,33,46)(H4,34,35,47)(H4,36,37,48)(H4,38,39,49)
InChIKeyKLNZPXOKRMLREN-UHFFFAOYSA-N
XLogP-27.91
TPSA2218.50 Ų
H-Bond Donors61
H-Bond Acceptors66
Rotatable Bonds88
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003815.56
LogP ≤ 5-27.91
H-Bond Donors ≤ 561
H-Bond Acceptors ≤ 1066

Analyze 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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide?
The IUPAC name of 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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide (CID 159169905) is 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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide.
What is the SMILES notation for 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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide?
The canonical SMILES for 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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide is CC(C)(C)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(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(N)=O)c1ccccc1.CC(C)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(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(N)=O)c1ccccc1.CCCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(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(N)=O)c1ccccc1.COc1ccc(O)c(CN(c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)C(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(N)=O)c2ccccc2)c1.
What is the InChIKey of 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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide?
The InChIKey is KLNZPXOKRMLREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48F6N20O9.C33H50N22O11.C32H48N22O11.C30H44N22O11/c1-76-17-10-11-21(68)16(12-17)14-67(20-13-22(41(45,46)47)57-24-18(20)8-5-9-19(24)40(42,43)44)35(75)34(74)58-23(15-6-3-2-4-7-15)30(70)60-27(64-37(51)52)32(72)62-29(66-39(55)56)33(73)61-28(65-38(53)54)31(71)59-26(25(48)69)63-36(49)50;1-33(2,3)9-10-53(22-15(55(65)66)11-14(12-43-22)54(63)64)28(62)27(61)44-16(13-7-5-4-6-8-13)23(57)46-19(50-30(37)38)25(59)48-21(52-32(41)42)26(60)47-20(51-31(39)40)24(58)45-18(17(34)56)49-29(35)36;1-12(2)8-9-52(22-15(54(64)65)10-14(11-42-22)53(62)63)28(61)27(60)43-16(13-6-4-3-5-7-13)23(56)45-19(49-30(36)37)25(58)47-21(51-32(40)41)26(59)46-20(50-31(38)39)24(57)44-18(17(33)55)48-29(34)35;1-2-8-50(20-13(52(62)63)9-12(10-40-20)51(60)61)26(59)25(58)41-14(11-6-4-3-5-7-11)21(54)43-17(47-28(34)35)23(56)45-19(49-30(38)39)24(57)44-18(48-29(36)37)22(55)42-16(15(31)53)46-27(32)33/h2-13,23,26-29,35,68,75H,14H2,1H3,(H2,48,69)(H,58,74)(H,59,71)(H,60,70)(H,61,73)(H,62,72)(H4,49,50,63)(H4,51,52,64)(H4,53,54,65)(H4,55,56,66);4-8,11-12,16,18-21,28,62H,9-10H2,1-3H3,(H2,34,56)(H,44,61)(H,45,58)(H,46,57)(H,47,60)(H,48,59)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52);3-7,10-12,16,18-21,28,61H,8-9H2,1-2H3,(H2,33,55)(H,43,60)(H,44,57)(H,45,56)(H,46,59)(H,47,58)(H4,34,35,48)(H4,36,37,49)(H4,38,39,50)(H4,40,41,51);3-7,9-10,14,16-19,26,59H,2,8H2,1H3,(H2,31,53)(H,41,58)(H,42,55)(H,43,54)(H,44,57)(H,45,56)(H4,32,33,46)(H4,34,35,47)(H4,36,37,48)(H4,38,39,49).
What are the key properties of 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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide?
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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide has a molecular weight of 3815.56 g/mol, XLogP of -27.91, 88 rotatable bonds, 61 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[3,3-dimethylbutyl-(3,5-dinitro-2-pyridinyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-(3-methylbutyl)amino]-2-hydroxyacetyl]amino]-2-phenylacetamide;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-[(3,5-dinitro-2-pyridinyl)-propylamino]-2-hydroxyacetyl]amino]-2-phenylacetamide is sourced from PubChem (CID 159169905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).