N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide

C191H228N78O50 — CID 159684623

IUPACN-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide
SMILESC=C1C=C(C(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NC(C)C)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C=CC1=O.Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)c2cccc(/C=C/C(=O)c3cc4cc5c6c(c4oc3=O)CCCN6CCC5)c2)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(N)ncnc32)CC(=O)NCCN(CC(=O)C(C)C)C(=O)Cn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C104H121N39O26.C87H107N39O24/c1-58(2)69(145)39-130(78(153)47-138-36-59(3)94(159)126-102(138)166)26-16-109-72(147)41-132(79(154)48-139-37-60(4)95(160)127-103(139)167)28-18-111-73(148)42-133(81(156)50-141-55-120-84-89(106)116-53-118-91(84)141)29-19-112-71(146)40-131(77(152)46-137-25-15-70(105)123-101(137)165)27-17-110-75(150)44-135(83(158)52-143-57-122-86-93(143)124-100(108)125-98(86)163)31-21-113-74(149)43-134(82(157)51-142-56-121-85-90(107)117-54-119-92(85)142)30-20-114-76(151)45-136(80(155)49-140-38-61(5)96(161)128-104(140)168)32-22-115-97(162)64-10-6-9-62(33-64)13-14-68(144)67-35-65-34-63-11-7-23-129-24-8-12-66(87(63)129)88(65)169-99(67)164;1-48(2)106-62(134)35-119(66(138)39-123-28-52(6)80(144)112-87(123)150)23-15-97-57(129)30-114(64(136)37-121-26-50(4)78(142)110-85(121)148)19-11-93-58(130)31-115(67(139)40-124-45-103-70-73(89)99-43-101-75(70)124)20-12-94-56(128)29-113(63(135)36-120-17-9-55(88)107-84(120)147)18-10-92-60(132)33-117(69(141)42-126-47-105-72-77(126)108-83(91)109-82(72)146)22-14-95-59(131)32-116(68(140)41-125-46-104-71-74(90)100-44-102-76(71)125)21-13-96-61(133)34-118(65(137)38-122-27-51(5)79(143)111-86(122)149)24-16-98-81(145)53-7-8-54(127)49(3)25-53/h6,9-10,13-15,25,33-38,53-58H,7-8,11-12,16-24,26-32,39-52H2,1-5H3,(H,109,147)(H,110,150)(H,111,148)(H,112,146)(H,113,149)(H,114,151)(H,115,162)(H2,105,123,165)(H2,106,116,118)(H2,107,117,119)(H,126,159,166)(H,127,160,167)(H,128,161,168)(H3,108,124,125,163);7-9,17,25-28,43-48H,3,10-16,18-24,29-42H2,1-2,4-6H3,(H,92,132)(H,93,130)(H,94,128)(H,95,131)(H,96,133)(H,97,129)(H,98,145)(H,106,134)(H2,88,107,147)(H2,89,99,101)(H2,90,100,102)(H,110,142,148)(H,111,143,149)(H,112,144,150)(H3,91,108,109,146)/b14-13+;
InChIKeyMVQBAPGOLHOAAS-IERUDJENSA-N
MW4416.42 g/mol
LogP-22.46
Rot. Bonds105

About N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide

N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide (PubChem CID 159684623) has the molecular formula C191H228N78O50 and a molecular weight of 4416.42 g/mol. Its IUPAC name is N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide
PubChem CID159684623
Molecular FormulaC191H228N78O50
Molecular Weight4416.42 g/mol
Exact Mass4413.77
IUPAC NameN-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide
SMILESC=C1C=C(C(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NC(C)C)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C=CC1=O.Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)c2cccc(/C=C/C(=O)c3cc4cc5c6c(c4oc3=O)CCCN6CCC5)c2)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(N)ncnc32)CC(=O)NCCN(CC(=O)C(C)C)C(=O)Cn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C104H121N39O26.C87H107N39O24/c1-58(2)69(145)39-130(78(153)47-138-36-59(3)94(159)126-102(138)166)26-16-109-72(147)41-132(79(154)48-139-37-60(4)95(160)127-103(139)167)28-18-111-73(148)42-133(81(156)50-141-55-120-84-89(106)116-53-118-91(84)141)29-19-112-71(146)40-131(77(152)46-137-25-15-70(105)123-101(137)165)27-17-110-75(150)44-135(83(158)52-143-57-122-86-93(143)124-100(108)125-98(86)163)31-21-113-74(149)43-134(82(157)51-142-56-121-85-90(107)117-54-119-92(85)142)30-20-114-76(151)45-136(80(155)49-140-38-61(5)96(161)128-104(140)168)32-22-115-97(162)64-10-6-9-62(33-64)13-14-68(144)67-35-65-34-63-11-7-23-129-24-8-12-66(87(63)129)88(65)169-99(67)164;1-48(2)106-62(134)35-119(66(138)39-123-28-52(6)80(144)112-87(123)150)23-15-97-57(129)30-114(64(136)37-121-26-50(4)78(142)110-85(121)148)19-11-93-58(130)31-115(67(139)40-124-45-103-70-73(89)99-43-101-75(70)124)20-12-94-56(128)29-113(63(135)36-120-17-9-55(88)107-84(120)147)18-10-92-60(132)33-117(69(141)42-126-47-105-72-77(126)108-83(91)109-82(72)146)22-14-95-59(131)32-116(68(140)41-125-46-104-71-74(90)100-44-102-76(71)125)21-13-96-61(133)34-118(65(137)38-122-27-51(5)79(143)111-86(122)149)24-16-98-81(145)53-7-8-54(127)49(3)25-53/h6,9-10,13-15,25,33-38,53-58H,7-8,11-12,16-24,26-32,39-52H2,1-5H3,(H,109,147)(H,110,150)(H,111,148)(H,112,146)(H,113,149)(H,114,151)(H,115,162)(H2,105,123,165)(H2,106,116,118)(H2,107,117,119)(H,126,159,166)(H,127,160,167)(H,128,161,168)(H3,108,124,125,163);7-9,17,25-28,43-48H,3,10-16,18-24,29-42H2,1-2,4-6H3,(H,92,132)(H,93,130)(H,94,128)(H,95,131)(H,96,133)(H,97,129)(H,98,145)(H,106,134)(H2,88,107,147)(H2,89,99,101)(H2,90,100,102)(H,110,142,148)(H,111,143,149)(H,112,144,150)(H3,91,108,109,146)/b14-13+;
InChIKeyMVQBAPGOLHOAAS-IERUDJENSA-N
XLogP-22.46
TPSA1714.14 Ų
H-Bond Donors31
H-Bond Acceptors91
Rotatable Bonds105
Heavy Atoms319
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004416.42
LogP ≤ 5-22.46
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1091

Analyze N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxoethyl)amino]ethylamino]-2-oxoethyl]acetamide
CID 136734848
CID 24901720
CID 24901720
(2S)-6-amino-2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[(2-aminoacetyl)amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]pent-4-ynoylamino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]hexanamide
CID 44552349
2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[(2-aminoacetyl)amino]ethyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]acetic acid
CID 52944123
N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide
CID 155359347
N-(2-aminoethyl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-(2-oxobutyl)amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-2-(4-amino-2-oxopyrimidin-1-yl)acetamide
CID 174352182
S-[3-[(3-amino-3-oxopropyl)amino]-3-oxopropyl] 2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl]amino]acetyl]amino]ethyl]amino]acetyl]amino]ethyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethanethioate
CID 177396474
methyl (2S)-2-[3-[[2-[2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-(phenylmethoxycarbonylamino)ethyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoate
CID 135531417
N-(2-aminoethyl)-N-[2-[2-[[2-[2-[[2-[2-[(2-amino-2-oxoethyl)-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 139212741
N-(2-aminoethyl)-N-[2-[2-[(2-amino-2-oxoethyl)-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(2-amino-6-oxo-1H-purin-9-yl)acetamide
CID 137125275
2-[2-[[2-[2-aminoethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetic acid
CID 58403796
2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-(methylamino)ethyl]-N-(2-oxopropyl)acetamide
CID 166164333

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide (CID 159684623) is N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide is C=C1C=C(C(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NC(C)C)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C=CC1=O.Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)c2cccc(/C=C/C(=O)c3cc4cc5c6c(c4oc3=O)CCCN6CCC5)c2)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(N)ncnc32)CC(=O)NCCN(CC(=O)C(C)C)C(=O)Cn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide?
The InChIKey is MVQBAPGOLHOAAS-IERUDJENSA-N. The full InChI is InChI=1S/C104H121N39O26.C87H107N39O24/c1-58(2)69(145)39-130(78(153)47-138-36-59(3)94(159)126-102(138)166)26-16-109-72(147)41-132(79(154)48-139-37-60(4)95(160)127-103(139)167)28-18-111-73(148)42-133(81(156)50-141-55-120-84-89(106)116-53-118-91(84)141)29-19-112-71(146)40-131(77(152)46-137-25-15-70(105)123-101(137)165)27-17-110-75(150)44-135(83(158)52-143-57-122-86-93(143)124-100(108)125-98(86)163)31-21-113-74(149)43-134(82(157)51-142-56-121-85-90(107)117-54-119-92(85)142)30-20-114-76(151)45-136(80(155)49-140-38-61(5)96(161)128-104(140)168)32-22-115-97(162)64-10-6-9-62(33-64)13-14-68(144)67-35-65-34-63-11-7-23-129-24-8-12-66(87(63)129)88(65)169-99(67)164;1-48(2)106-62(134)35-119(66(138)39-123-28-52(6)80(144)112-87(123)150)23-15-97-57(129)30-114(64(136)37-121-26-50(4)78(142)110-85(121)148)19-11-93-58(130)31-115(67(139)40-124-45-103-70-73(89)99-43-101-75(70)124)20-12-94-56(128)29-113(63(135)36-120-17-9-55(88)107-84(120)147)18-10-92-60(132)33-117(69(141)42-126-47-105-72-77(126)108-83(91)109-82(72)146)22-14-95-59(131)32-116(68(140)41-125-46-104-71-74(90)100-44-102-76(71)125)21-13-96-61(133)34-118(65(137)38-122-27-51(5)79(143)111-86(122)149)24-16-98-81(145)53-7-8-54(127)49(3)25-53/h6,9-10,13-15,25,33-38,53-58H,7-8,11-12,16-24,26-32,39-52H2,1-5H3,(H,109,147)(H,110,150)(H,111,148)(H,112,146)(H,113,149)(H,114,151)(H,115,162)(H2,105,123,165)(H2,106,116,118)(H2,107,117,119)(H,126,159,166)(H,127,160,167)(H,128,161,168)(H3,108,124,125,163);7-9,17,25-28,43-48H,3,10-16,18-24,29-42H2,1-2,4-6H3,(H,92,132)(H,93,130)(H,94,128)(H,95,131)(H,96,133)(H,97,129)(H,98,145)(H,106,134)(H2,88,107,147)(H2,89,99,101)(H2,90,100,102)(H,110,142,148)(H,111,143,149)(H,112,144,150)(H3,91,108,109,146)/b14-13+;.
What are the key properties of N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide?
N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide has a molecular weight of 4416.42 g/mol, XLogP of -22.46, 105 rotatable bonds, 31 hydrogen bond donors, and 91 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 159684623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).