About N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(2,4-dichlorophenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid
N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(2,4-dichlorophenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid (PubChem CID 159935832) has the molecular formula C144H163Cl9N52O19S2
and a molecular weight of 3309.44 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(2,4-dichlorophenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(2,4-dichlorophenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(2,4-dichlorophenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid (CID 159935832) is N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(2,4-dichlorophenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(2,4-dichlorophenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(2,4-dichlorophenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid is Cc1ccc(S(=O)(=O)n2ccc3cc(NC(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)ccc32)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCCc4ccc(Cl)cc4Cl)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCc4cccc(COc5ccc(Cl)cc5)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)N5CCCC(C(=O)O)C5)c4)CC3)N2)nc1Cl.
What is the InChIKey of N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(2,4-dichlorophenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid?
The InChIKey is OAFWWZQDSADEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN10O4S.C27H29Cl2N9O3.C25H30ClN9O6S.C23H27Cl3N8O2.C21H25ClN8O2.C20H23ClN8O2/c1-16-2-5-19(6-3-16)44(42,43)39-11-8-17-14-18(4-7-20(17)39)33-27(41)38-12-9-28(10-13-38)15-32-26(37-28)36-25(40)21-23(30)35-24(31)22(29)34-21;28-18-4-6-19(7-5-18)41-14-17-3-1-2-16(12-17)13-32-26(40)38-10-8-27(9-11-38)15-33-25(37-27)36-24(39)20-22(30)35-23(31)21(29)34-20;26-18-20(28)31-19(27)17(30-18)21(36)32-24-29-13-25(33-24)6-9-34(10-7-25)22(37)14-3-1-5-16(11-14)42(40,41)35-8-2-4-15(12-35)23(38)39;24-14-6-5-13(15(25)11-14)3-1-2-4-16(35)34-9-7-23(8-10-34)12-29-22(33-23)32-21(36)17-19(27)31-20(28)18(26)30-17;22-16-18(24)27-17(23)15(26-16)19(32)28-20-25-12-21(29-20)8-10-30(11-9-21)14(31)7-6-13-4-2-1-3-5-13;21-15-17(23)26-16(22)14(25-15)18(31)27-19-24-11-20(28-19)6-8-29(9-7-20)13(30)10-12-4-2-1-3-5-12/h2-8,11,14H,9-10,12-13,15H2,1H3,(H,33,41)(H4,30,31,35)(H2,32,36,37,40);1-7,12H,8-11,13-15H2,(H,32,40)(H4,30,31,35)(H2,33,36,37,39);1,3,5,11,15H,2,4,6-10,12-13H2,(H,38,39)(H4,27,28,31)(H2,29,32,33,36);5-6,11H,1-4,7-10,12H2,(H4,27,28,31)(H2,29,32,33,36);1-5H,6-12H2,(H4,23,24,27)(H2,25,28,29,32);1-5H,6-11H2,(H4,22,23,26)(H2,24,27,28,31).
What are the key properties of N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(2,4-dichlorophenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid?
N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(2,4-dichlorophenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid has a molecular weight of 3309.44 g/mol, XLogP of 10.28, 28 rotatable bonds, 27 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(2,4-dichlorophenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 159935832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).