3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide

C165H237Cl6N39O30 — CID 158297936

IUPAC3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
SMILES[H]/N=C(/CCCCCc1ccc(OCCOCCNC(=O)NCCCCCC(=O)CCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1)CC(=O)c1nc(Cl)c(C)nc1N.[H]/N=C(/CCCCCc1ccc(OCCOCCOCCCC(=O)CCCCCNC(=O)NCCOCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1)CC(=O)c1nc(Cl)c(C)nc1N.[H]/N=C(/CCCCCc1ccc(OCCOCCOCCOCCNC(=O)NCCCCCC(=O)CCCOCCOCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1)CC(=O)c1nc(Cl)c(C)nc1N
InChIInChI=1S/C59H87Cl2N13O12.C55H79Cl2N13O10.C51H71Cl2N13O8/c1-42-52(60)71-50(54(63)70-42)49(76)41-45(62)13-5-2-4-11-43-16-20-47(21-17-43)85-39-38-84-36-34-82-32-30-80-28-26-69-59(78)68-25-8-3-6-14-46(75)15-10-27-79-29-31-81-33-35-83-37-40-86-48-22-18-44(19-23-48)12-7-9-24-67-58(66)74-57(77)51-55(64)73-56(65)53(61)72-51;1-38-48(56)67-46(50(59)66-38)45(72)37-41(58)13-5-2-4-11-39-16-20-43(21-17-39)79-35-33-77-31-29-75-27-10-15-42(71)14-6-3-8-25-64-55(74)65-26-28-76-30-32-78-34-36-80-44-22-18-40(19-23-44)12-7-9-24-63-54(62)70-53(73)47-51(60)69-52(61)49(57)68-47;1-34-44(52)63-42(46(55)62-34)41(68)33-37(54)13-5-2-4-11-35-16-20-40(21-17-35)74-32-30-72-28-26-61-51(70)60-25-8-3-6-14-38(67)15-10-27-71-29-31-73-39-22-18-36(19-23-39)12-7-9-24-59-50(58)66-49(69)43-47(56)65-48(57)45(53)64-43/h16-23,62H,2-15,24-41H2,1H3,(H2,63,70)(H4,64,65,73)(H2,68,69,78)(H3,66,67,74,77);16-23,58H,2-15,24-37H2,1H3,(H2,59,66)(H4,60,61,69)(H2,64,65,74)(H3,62,63,70,73);16-23,54H,2-15,24-33H2,1H3,(H2,55,62)(H4,56,57,65)(H2,60,61,70)(H3,58,59,66,69)/b62-45-;58-41-;54-37-
InChIKeyGMDHYRHUKDFQPU-LMNFNSDSSA-N
MW3459.67 g/mol
LogP20.47
Rot. Bonds126

About 3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide

3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide (PubChem CID 158297936) has the molecular formula C165H237Cl6N39O30 and a molecular weight of 3459.67 g/mol. Its IUPAC name is 3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
PubChem CID158297936
Molecular FormulaC165H237Cl6N39O30
Molecular Weight3459.67 g/mol
Exact Mass3454.63
IUPAC Name3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
SMILES[H]/N=C(/CCCCCc1ccc(OCCOCCNC(=O)NCCCCCC(=O)CCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1)CC(=O)c1nc(Cl)c(C)nc1N.[H]/N=C(/CCCCCc1ccc(OCCOCCOCCCC(=O)CCCCCNC(=O)NCCOCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1)CC(=O)c1nc(Cl)c(C)nc1N.[H]/N=C(/CCCCCc1ccc(OCCOCCOCCOCCNC(=O)NCCCCCC(=O)CCCOCCOCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1)CC(=O)c1nc(Cl)c(C)nc1N
InChIInChI=1S/C59H87Cl2N13O12.C55H79Cl2N13O10.C51H71Cl2N13O8/c1-42-52(60)71-50(54(63)70-42)49(76)41-45(62)13-5-2-4-11-43-16-20-47(21-17-43)85-39-38-84-36-34-82-32-30-80-28-26-69-59(78)68-25-8-3-6-14-46(75)15-10-27-79-29-31-81-33-35-83-37-40-86-48-22-18-44(19-23-48)12-7-9-24-67-58(66)74-57(77)51-55(64)73-56(65)53(61)72-51;1-38-48(56)67-46(50(59)66-38)45(72)37-41(58)13-5-2-4-11-39-16-20-43(21-17-39)79-35-33-77-31-29-75-27-10-15-42(71)14-6-3-8-25-64-55(74)65-26-28-76-30-32-78-34-36-80-44-22-18-40(19-23-44)12-7-9-24-63-54(62)70-53(73)47-51(60)69-52(61)49(57)68-47;1-34-44(52)63-42(46(55)62-34)41(68)33-37(54)13-5-2-4-11-35-16-20-40(21-17-35)74-32-30-72-28-26-61-51(70)60-25-8-3-6-14-38(67)15-10-27-71-29-31-73-39-22-18-36(19-23-39)12-7-9-24-59-50(58)66-49(69)43-47(56)65-48(57)45(53)64-43/h16-23,62H,2-15,24-41H2,1H3,(H2,63,70)(H4,64,65,73)(H2,68,69,78)(H3,66,67,74,77);16-23,58H,2-15,24-37H2,1H3,(H2,59,66)(H4,60,61,69)(H2,64,65,74)(H3,62,63,70,73);16-23,54H,2-15,24-33H2,1H3,(H2,55,62)(H4,56,57,65)(H2,60,61,70)(H3,58,59,66,69)/b62-45-;58-41-;54-37-
InChIKeyGMDHYRHUKDFQPU-LMNFNSDSSA-N
XLogP20.47
TPSA1054.80 Ų
H-Bond Donors24
H-Bond Acceptors57
Rotatable Bonds126
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003459.67
LogP ≤ 520.47
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide (CID 158297936) is 3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide is [H]/N=C(/CCCCCc1ccc(OCCOCCNC(=O)NCCCCCC(=O)CCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1)CC(=O)c1nc(Cl)c(C)nc1N.[H]/N=C(/CCCCCc1ccc(OCCOCCOCCCC(=O)CCCCCNC(=O)NCCOCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1)CC(=O)c1nc(Cl)c(C)nc1N.[H]/N=C(/CCCCCc1ccc(OCCOCCOCCOCCNC(=O)NCCCCCC(=O)CCCOCCOCCOCCOc2ccc(CCCC/N=C(\N)NC(=O)c3nc(Cl)c(N)nc3N)cc2)cc1)CC(=O)c1nc(Cl)c(C)nc1N.
What is the InChIKey of 3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide?
The InChIKey is GMDHYRHUKDFQPU-LMNFNSDSSA-N. The full InChI is InChI=1S/C59H87Cl2N13O12.C55H79Cl2N13O10.C51H71Cl2N13O8/c1-42-52(60)71-50(54(63)70-42)49(76)41-45(62)13-5-2-4-11-43-16-20-47(21-17-43)85-39-38-84-36-34-82-32-30-80-28-26-69-59(78)68-25-8-3-6-14-46(75)15-10-27-79-29-31-81-33-35-83-37-40-86-48-22-18-44(19-23-48)12-7-9-24-67-58(66)74-57(77)51-55(64)73-56(65)53(61)72-51;1-38-48(56)67-46(50(59)66-38)45(72)37-41(58)13-5-2-4-11-39-16-20-43(21-17-39)79-35-33-77-31-29-75-27-10-15-42(71)14-6-3-8-25-64-55(74)65-26-28-76-30-32-78-34-36-80-44-22-18-40(19-23-44)12-7-9-24-63-54(62)70-53(73)47-51(60)69-52(61)49(57)68-47;1-34-44(52)63-42(46(55)62-34)41(68)33-37(54)13-5-2-4-11-35-16-20-40(21-17-35)74-32-30-72-28-26-61-51(70)60-25-8-3-6-14-38(67)15-10-27-71-29-31-73-39-22-18-36(19-23-39)12-7-9-24-59-50(58)66-49(69)43-47(56)65-48(57)45(53)64-43/h16-23,62H,2-15,24-41H2,1H3,(H2,63,70)(H4,64,65,73)(H2,68,69,78)(H3,66,67,74,77);16-23,58H,2-15,24-37H2,1H3,(H2,59,66)(H4,60,61,69)(H2,64,65,74)(H3,62,63,70,73);16-23,54H,2-15,24-33H2,1H3,(H2,55,62)(H4,56,57,65)(H2,60,61,70)(H3,58,59,66,69)/b62-45-;58-41-;54-37-.
What are the key properties of 3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide?
3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide has a molecular weight of 3459.67 g/mol, XLogP of 20.47, 126 rotatable bonds, 24 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[9-[2-[2-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[2-[2-[[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethoxy]-6-oxononyl]carbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[N'-[4-[4-[2-[9-[2-[2-[4-[8-(3-amino-6-chloro-5-methylpyrazin-2-yl)-6-imino-8-oxooctyl]phenoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 158297936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).