4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate

C213H311N41O41 — CID 163774845

IUPAC4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate
SMILESCCCCCCc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)C(C)CC(=O)O)CC4)cc3OC)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)OCc5ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCOCCN6C(=O)CC(C)C6=O)C(C)C)cc5)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)OCc5ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCOCCNC(=O)C(C)CC(=O)O)C(C)C)cc5)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)OCc5ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCOCCNC(=O)CC(C)C(=O)O)C(C)C)cc5)CC4)cc3C)c12
InChIInChI=1S/2C55H79N11O10.C55H77N11O9.C48H76N8O12/c1-6-7-8-19-59-50-49-46(62-53(56)63-50)17-22-66(49)34-42-16-15-41(29-37(42)4)33-64-23-25-65(26-24-64)55(74)76-35-40-13-11-39(12-14-40)31-47(68)45(10-9-20-60-54(57)73)61-51(70)44(36(2)3)32-43(67)18-27-75-28-21-58-48(69)30-38(5)52(71)72;1-6-7-8-19-58-50-49-46(62-53(56)63-50)17-22-66(49)34-42-16-15-41(29-37(42)4)33-64-23-25-65(26-24-64)55(74)76-35-40-13-11-39(12-14-40)31-47(68)45(10-9-20-60-54(57)73)61-52(72)44(36(2)3)32-43(67)18-27-75-28-21-59-51(71)38(5)30-48(69)70;1-6-7-8-19-58-50-49-46(61-53(56)62-50)17-21-65(49)34-42-16-15-41(29-37(42)4)33-63-22-24-64(25-23-63)55(73)75-35-40-13-11-39(12-14-40)31-47(68)45(10-9-20-59-54(57)72)60-51(70)44(36(2)3)32-43(67)18-27-74-28-26-66-48(69)30-38(5)52(66)71;1-4-5-6-7-8-40-46-41(53-48(49)52-40)12-16-56(46)36-39-10-9-38(34-42(39)62-3)35-54-17-19-55(20-18-54)44(58)13-21-63-23-25-65-27-29-67-31-32-68-30-28-66-26-24-64-22-15-50-43(57)11-14-51-47(61)37(2)33-45(59)60/h11-17,22,29,36,38,44-45H,6-10,18-21,23-28,30-35H2,1-5H3,(H,58,69)(H,61,70)(H,71,72)(H3,57,60,73)(H3,56,59,62,63);11-17,22,29,36,38,44-45H,6-10,18-21,23-28,30-35H2,1-5H3,(H,59,71)(H,61,72)(H,69,70)(H3,57,60,73)(H3,56,58,62,63);11-17,21,29,36,38,44-45H,6-10,18-20,22-28,30-35H2,1-5H3,(H,60,70)(H3,57,59,72)(H3,56,58,61,62);9-10,12,16,34,37H,4-8,11,13-15,17-33,35-36H2,1-3H3,(H,50,57)(H,51,61)(H,59,60)(H2,49,52,53)/t3*38?,44-,45-;/m000./s1
InChIKeyMJNDGAHDERHYPL-DGLHDADYSA-N
MW4102.08 g/mol
LogP19.24
Rot. Bonds130

About 4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate

4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate (PubChem CID 163774845) has the molecular formula C213H311N41O41 and a molecular weight of 4102.08 g/mol. Its IUPAC name is 4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate
PubChem CID163774845
Molecular FormulaC213H311N41O41
Molecular Weight4102.08 g/mol
Exact Mass4099.35
IUPAC Name4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate
SMILESCCCCCCc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)C(C)CC(=O)O)CC4)cc3OC)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)OCc5ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCOCCN6C(=O)CC(C)C6=O)C(C)C)cc5)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)OCc5ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCOCCNC(=O)C(C)CC(=O)O)C(C)C)cc5)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)OCc5ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCOCCNC(=O)CC(C)C(=O)O)C(C)C)cc5)CC4)cc3C)c12
InChIInChI=1S/2C55H79N11O10.C55H77N11O9.C48H76N8O12/c1-6-7-8-19-59-50-49-46(62-53(56)63-50)17-22-66(49)34-42-16-15-41(29-37(42)4)33-64-23-25-65(26-24-64)55(74)76-35-40-13-11-39(12-14-40)31-47(68)45(10-9-20-60-54(57)73)61-51(70)44(36(2)3)32-43(67)18-27-75-28-21-58-48(69)30-38(5)52(71)72;1-6-7-8-19-58-50-49-46(62-53(56)63-50)17-22-66(49)34-42-16-15-41(29-37(42)4)33-64-23-25-65(26-24-64)55(74)76-35-40-13-11-39(12-14-40)31-47(68)45(10-9-20-60-54(57)73)61-52(72)44(36(2)3)32-43(67)18-27-75-28-21-59-51(71)38(5)30-48(69)70;1-6-7-8-19-58-50-49-46(61-53(56)62-50)17-21-65(49)34-42-16-15-41(29-37(42)4)33-63-22-24-64(25-23-63)55(73)75-35-40-13-11-39(12-14-40)31-47(68)45(10-9-20-59-54(57)72)60-51(70)44(36(2)3)32-43(67)18-27-74-28-26-66-48(69)30-38(5)52(66)71;1-4-5-6-7-8-40-46-41(53-48(49)52-40)12-16-56(46)36-39-10-9-38(34-42(39)62-3)35-54-17-19-55(20-18-54)44(58)13-21-63-23-25-65-27-29-67-31-32-68-30-28-66-26-24-64-22-15-50-43(57)11-14-51-47(61)37(2)33-45(59)60/h11-17,22,29,36,38,44-45H,6-10,18-21,23-28,30-35H2,1-5H3,(H,58,69)(H,61,70)(H,71,72)(H3,57,60,73)(H3,56,59,62,63);11-17,22,29,36,38,44-45H,6-10,18-21,23-28,30-35H2,1-5H3,(H,59,71)(H,61,72)(H,69,70)(H3,57,60,73)(H3,56,58,62,63);11-17,21,29,36,38,44-45H,6-10,18-20,22-28,30-35H2,1-5H3,(H,60,70)(H3,57,59,72)(H3,56,58,61,62);9-10,12,16,34,37H,4-8,11,13-15,17-33,35-36H2,1-3H3,(H,50,57)(H,51,61)(H,59,60)(H2,49,52,53)/t3*38?,44-,45-;/m000./s1
InChIKeyMJNDGAHDERHYPL-DGLHDADYSA-N
XLogP19.24
TPSA1097.96 Ų
H-Bond Donors23
H-Bond Acceptors61
Rotatable Bonds130
Heavy Atoms295
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004102.08
LogP ≤ 519.24
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1061

Analyze 4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid
CID 157246505
1-[[1-[2-[2-[2-[4-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-4-oxobutoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione;4-[[5-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]-2-oxopentyl]amino]-2-methyl-4-oxobutanoic acid;4-[[5-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]-2-oxopentyl]amino]-3-methyl-4-oxobutanoic acid
CID 161456135
4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid
CID 158957179
N-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 160611635
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl]piperazine-1-carboxylate
CID 129073117
11-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]-2-methyl-4,8-dioxoundecanoic acid
CID 157391670
3-(2-amino-2-carboxyethyl)sulfanyl-4-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid
CID 155015154
2-[[(2R)-2-amino-2-carboxyethyl]sulfanylmethylsulfanylmethyl]-4-[[3-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-4-oxobutanoic acid
CID 129103731
1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione
CID 129103799
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[4-[N-[(2-ethylphenyl)methyl]-2-methylanilino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl 2-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 155400459
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-[3-[2-[2-[2-[2-[[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methoxyphenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171654190
N-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[(1-hydroxy-4-oxobutyl)-methylamino]propanamide
CID 155015205

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate?
The IUPAC name of 4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate (CID 163774845) is 4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for 4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate?
The canonical SMILES for 4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate is CCCCCCc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCNC(=O)C(C)CC(=O)O)CC4)cc3OC)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)OCc5ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCOCCN6C(=O)CC(C)C6=O)C(C)C)cc5)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)OCc5ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCOCCNC(=O)C(C)CC(=O)O)C(C)C)cc5)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)OCc5ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](CC(=O)CCOCCNC(=O)CC(C)C(=O)O)C(C)C)cc5)CC4)cc3C)c12.
What is the InChIKey of 4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate?
The InChIKey is MJNDGAHDERHYPL-DGLHDADYSA-N. The full InChI is InChI=1S/2C55H79N11O10.C55H77N11O9.C48H76N8O12/c1-6-7-8-19-59-50-49-46(62-53(56)63-50)17-22-66(49)34-42-16-15-41(29-37(42)4)33-64-23-25-65(26-24-64)55(74)76-35-40-13-11-39(12-14-40)31-47(68)45(10-9-20-60-54(57)73)61-51(70)44(36(2)3)32-43(67)18-27-75-28-21-58-48(69)30-38(5)52(71)72;1-6-7-8-19-58-50-49-46(62-53(56)63-50)17-22-66(49)34-42-16-15-41(29-37(42)4)33-64-23-25-65(26-24-64)55(74)76-35-40-13-11-39(12-14-40)31-47(68)45(10-9-20-60-54(57)73)61-52(72)44(36(2)3)32-43(67)18-27-75-28-21-59-51(71)38(5)30-48(69)70;1-6-7-8-19-58-50-49-46(61-53(56)62-50)17-21-65(49)34-42-16-15-41(29-37(42)4)33-63-22-24-64(25-23-63)55(73)75-35-40-13-11-39(12-14-40)31-47(68)45(10-9-20-59-54(57)72)60-51(70)44(36(2)3)32-43(67)18-27-74-28-26-66-48(69)30-38(5)52(66)71;1-4-5-6-7-8-40-46-41(53-48(49)52-40)12-16-56(46)36-39-10-9-38(34-42(39)62-3)35-54-17-19-55(20-18-54)44(58)13-21-63-23-25-65-27-29-67-31-32-68-30-28-66-26-24-64-22-15-50-43(57)11-14-51-47(61)37(2)33-45(59)60/h11-17,22,29,36,38,44-45H,6-10,18-21,23-28,30-35H2,1-5H3,(H,58,69)(H,61,70)(H,71,72)(H3,57,60,73)(H3,56,59,62,63);11-17,22,29,36,38,44-45H,6-10,18-21,23-28,30-35H2,1-5H3,(H,59,71)(H,61,72)(H,69,70)(H3,57,60,73)(H3,56,58,62,63);11-17,21,29,36,38,44-45H,6-10,18-20,22-28,30-35H2,1-5H3,(H,60,70)(H3,57,59,72)(H3,56,58,61,62);9-10,12,16,34,37H,4-8,11,13-15,17-33,35-36H2,1-3H3,(H,50,57)(H,51,61)(H,59,60)(H2,49,52,53)/t3*38?,44-,45-;/m000./s1.
What are the key properties of 4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate?
4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate has a molecular weight of 4102.08 g/mol, XLogP of 19.24, 130 rotatable bonds, 23 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-[2-[2-[2-[2-[2-[3-[4-[[4-[(2-amino-4-hexylpyrrolo[3,2-d]pyrimidin-5-yl)methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[(5S)-5-[[(3S)-1-[4-[[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-6-methyl-3-oxoheptoxy]ethylamino]-3-methyl-4-oxobutanoic acid;[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-6-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]-4-oxo-2-propan-2-ylhexanoyl]amino]-2-oxohexyl]phenyl]methyl 4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 163774845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).