About bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate
bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate (PubChem CID 158064564) has the molecular formula C173H213Cl8N63O23
and a molecular weight of 3826.65 g/mol. Its IUPAC name is bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate.
Frequently Asked Questions
What is the IUPAC name of bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
The IUPAC name of bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate (CID 158064564) is bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate.
What is the SMILES notation for bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
The canonical SMILES for bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate is CCN(CC)C(=O)Cn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COCCOCOCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)C2CCC(C(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)CC2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)C2CCC(C(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)CC2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCO)CC3)nc1Cl.
What is the InChIKey of bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
The InChIKey is FLBHQZQLXAZVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H43Cl2N15O4.C28H34ClN9O3.C28H35ClN8O5.C27H31ClN8O4.C24H27ClN8O3/c2*34-21-25(38)44-23(36)19(42-21)27(51)41-18-5-6-32(47-18)7-11-49(12-8-32)29(53)16-1-3-17(4-2-16)30(54)50-13-9-33(10-14-50)15-40-31(48-33)46-28(52)20-24(37)45-26(39)22(35)43-20;1-3-36(4-2)21(39)16-38-13-9-17-18(6-5-7-19(17)38)27(41)37-14-11-28(12-15-37)10-8-20(35-28)32-26(40)22-24(30)34-25(31)23(29)33-22;1-40-15-16-42-17-41-14-13-36-10-6-18-19(3-2-4-20(18)36)27(39)37-11-8-28(9-12-37)7-5-21(35-28)32-26(38)22-24(30)34-25(31)23(29)33-22;1-40-20(37)6-3-12-35-13-8-16-17(4-2-5-18(16)35)26(39)36-14-10-27(11-15-36)9-7-19(34-27)31-25(38)21-23(29)33-24(30)22(28)32-21;25-19-21(27)30-20(26)18(29-19)22(35)28-17-4-6-24(31-17)7-10-33(11-8-24)23(36)15-2-1-3-16-14(15)5-9-32(16)12-13-34/h2*16-17H,1-15H2,(H4,36,38,44)(H4,37,39,45)(H,41,47,51)(H2,40,46,48,52);5-7,9,13H,3-4,8,10-12,14-16H2,1-2H3,(H4,30,31,34)(H,32,35,40);2-4,6,10H,5,7-9,11-17H2,1H3,(H4,30,31,34)(H,32,35,38);2,4-5,8,13H,3,6-7,9-12,14-15H2,1H3,(H4,29,30,33)(H,31,34,38);1-3,5,9,34H,4,6-8,10-13H2,(H4,26,27,30)(H,28,31,35).
What are the key properties of bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate has a molecular weight of 3826.65 g/mol, XLogP of 11.32, 34 rotatable bonds, 27 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate is sourced from PubChem (CID 158064564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).