(6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate

C246H289ClN40O63 — CID 163515323

IUPAC(6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1.COCCOCCCOc1ccc(C(=O)Cl)cc1.COCCOCCO.NC(N)=Nc1ccc(OC(=O)c2ccc(OCCNC(=O)CCCC(=O)NCCOCCNC(=O)CCCC(=O)NCCOc3ccc(C(=O)Oc4ccc(N=C(N)N)cc4)cc3)cc2)cc1.NCCOc1ccc(C(=O)Oc2ccc(N=C(N)N)cc2)cc1.O=C(CCCC(=O)ON1C(=O)CCC1=O)NCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O.[H]/N=C(\N)c1ccc(OC(=O)c2ccc(OCCN)cc2)cc1.[H]/N=C(\N)c1ccc(OC(=O)c2ccc(OCCNC(=O)CCCC(=O)NCCOCCNC(=O)CCCC(=O)NCCOc3ccc(C(=O)Oc4ccc(/C(N)=N/[H])cc4)cc3)cc2)cc1.[H]/N=C(\N)c1ccc2cc(OC(=O)c3ccc(OCCN)cc3)ccc2c1.[H]/N=C(\N)c1ccc2cc(OC(=O)c3ccc(OCCNC(=O)CCCC(=O)NCCOCCNC(=O)CCCC(=O)NCCOc4ccc(C(=O)Oc5ccc6cc(/C(N)=N/[H])ccc6c5)cc4)cc3)ccc2c1
InChIInChI=1S/C54H58N8O11.C46H56N10O11.C46H54N8O11.C22H30N4O11.C20H19N3O3.C16H18N4O3.C16H17N3O3.C13H17ClO4.C8H8O3.C5H12O3/c55-51(56)41-9-7-39-33-45(21-15-37(39)31-41)72-53(67)35-11-17-43(18-12-35)70-29-25-61-49(65)5-1-3-47(63)59-23-27-69-28-24-60-48(64)4-2-6-50(66)62-26-30-71-44-19-13-36(14-20-44)54(68)73-46-22-16-38-32-42(52(57)58)10-8-40(38)34-46;47-45(48)55-33-11-19-37(20-12-33)66-43(61)31-7-15-35(16-8-31)64-29-25-53-41(59)5-1-3-39(57)51-23-27-63-28-24-52-40(58)4-2-6-42(60)54-26-30-65-36-17-9-32(10-18-36)44(62)67-38-21-13-34(14-22-38)56-46(49)50;47-43(48)31-7-19-37(20-8-31)64-45(59)33-11-15-35(16-12-33)62-29-25-53-41(57)5-1-3-39(55)51-23-27-61-28-24-52-40(56)4-2-6-42(58)54-26-30-63-36-17-13-34(14-18-36)46(60)65-38-21-9-32(10-22-38)44(49)50;27-15(3-1-5-21(33)36-25-17(29)7-8-18(25)30)23-11-13-35-14-12-24-16(28)4-2-6-22(34)37-26-19(31)9-10-20(26)32;21-9-10-25-17-6-3-13(4-7-17)20(24)26-18-8-5-14-11-16(19(22)23)2-1-15(14)12-18;17-9-10-22-13-5-1-11(2-6-13)15(21)23-14-7-3-12(4-8-14)20-16(18)19;17-9-10-21-13-5-3-12(4-6-13)16(20)22-14-7-1-11(2-8-14)15(18)19;1-16-9-10-17-7-2-8-18-12-5-3-11(4-6-12)13(14)15;1-11-8(10)6-2-4-7(9)5-3-6;1-7-4-5-8-3-2-6/h7-22,31-34H,1-6,23-30H2,(H3,55,56)(H3,57,58)(H,59,63)(H,60,64)(H,61,65)(H,62,66);7-22H,1-6,23-30H2,(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H4,47,48,55)(H4,49,50,56);7-22H,1-6,23-30H2,(H3,47,48)(H3,49,50)(H,51,55)(H,52,56)(H,53,57)(H,54,58);1-14H2,(H,23,27)(H,24,28);1-8,11-12H,9-10,21H2,(H3,22,23);1-8H,9-10,17H2,(H4,18,19,20);1-8H,9-10,17H2,(H3,18,19);3-6H,2,7-10H2,1H3;2-5,9H,1H3;6H,2-5H2,1H3
InChIKeyDGFCDFSOUSGSRA-UHFFFAOYSA-N
MW4849.69 g/mol
LogP17.93
Rot. Bonds133

About (6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate

(6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate (PubChem CID 163515323) has the molecular formula C246H289ClN40O63 and a molecular weight of 4849.69 g/mol. Its IUPAC name is (6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate.

Molecular Properties

Compound Name(6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate
PubChem CID163515323
Molecular FormulaC246H289ClN40O63
Molecular Weight4849.69 g/mol
Exact Mass4846.03
IUPAC Name(6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)cc1.COCCOCCCOc1ccc(C(=O)Cl)cc1.COCCOCCO.NC(N)=Nc1ccc(OC(=O)c2ccc(OCCNC(=O)CCCC(=O)NCCOCCNC(=O)CCCC(=O)NCCOc3ccc(C(=O)Oc4ccc(N=C(N)N)cc4)cc3)cc2)cc1.NCCOc1ccc(C(=O)Oc2ccc(N=C(N)N)cc2)cc1.O=C(CCCC(=O)ON1C(=O)CCC1=O)NCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O.[H]/N=C(\N)c1ccc(OC(=O)c2ccc(OCCN)cc2)cc1.[H]/N=C(\N)c1ccc(OC(=O)c2ccc(OCCNC(=O)CCCC(=O)NCCOCCNC(=O)CCCC(=O)NCCOc3ccc(C(=O)Oc4ccc(/C(N)=N/[H])cc4)cc3)cc2)cc1.[H]/N=C(\N)c1ccc2cc(OC(=O)c3ccc(OCCN)cc3)ccc2c1.[H]/N=C(\N)c1ccc2cc(OC(=O)c3ccc(OCCNC(=O)CCCC(=O)NCCOCCNC(=O)CCCC(=O)NCCOc4ccc(C(=O)Oc5ccc6cc(/C(N)=N/[H])ccc6c5)cc4)cc3)ccc2c1
InChIInChI=1S/C54H58N8O11.C46H56N10O11.C46H54N8O11.C22H30N4O11.C20H19N3O3.C16H18N4O3.C16H17N3O3.C13H17ClO4.C8H8O3.C5H12O3/c55-51(56)41-9-7-39-33-45(21-15-37(39)31-41)72-53(67)35-11-17-43(18-12-35)70-29-25-61-49(65)5-1-3-47(63)59-23-27-69-28-24-60-48(64)4-2-6-50(66)62-26-30-71-44-19-13-36(14-20-44)54(68)73-46-22-16-38-32-42(52(57)58)10-8-40(38)34-46;47-45(48)55-33-11-19-37(20-12-33)66-43(61)31-7-15-35(16-8-31)64-29-25-53-41(59)5-1-3-39(57)51-23-27-63-28-24-52-40(58)4-2-6-42(60)54-26-30-65-36-17-9-32(10-18-36)44(62)67-38-21-13-34(14-22-38)56-46(49)50;47-43(48)31-7-19-37(20-8-31)64-45(59)33-11-15-35(16-12-33)62-29-25-53-41(57)5-1-3-39(55)51-23-27-61-28-24-52-40(56)4-2-6-42(58)54-26-30-63-36-17-13-34(14-18-36)46(60)65-38-21-9-32(10-22-38)44(49)50;27-15(3-1-5-21(33)36-25-17(29)7-8-18(25)30)23-11-13-35-14-12-24-16(28)4-2-6-22(34)37-26-19(31)9-10-20(26)32;21-9-10-25-17-6-3-13(4-7-17)20(24)26-18-8-5-14-11-16(19(22)23)2-1-15(14)12-18;17-9-10-22-13-5-1-11(2-6-13)15(21)23-14-7-3-12(4-8-14)20-16(18)19;17-9-10-21-13-5-3-12(4-6-13)16(20)22-14-7-1-11(2-8-14)15(18)19;1-16-9-10-17-7-2-8-18-12-5-3-11(4-6-12)13(14)15;1-11-8(10)6-2-4-7(9)5-3-6;1-7-4-5-8-3-2-6/h7-22,31-34H,1-6,23-30H2,(H3,55,56)(H3,57,58)(H,59,63)(H,60,64)(H,61,65)(H,62,66);7-22H,1-6,23-30H2,(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H4,47,48,55)(H4,49,50,56);7-22H,1-6,23-30H2,(H3,47,48)(H3,49,50)(H,51,55)(H,52,56)(H,53,57)(H,54,58);1-14H2,(H,23,27)(H,24,28);1-8,11-12H,9-10,21H2,(H3,22,23);1-8H,9-10,17H2,(H4,18,19,20);1-8H,9-10,17H2,(H3,18,19);3-6H,2,7-10H2,1H3;2-5,9H,1H3;6H,2-5H2,1H3
InChIKeyDGFCDFSOUSGSRA-UHFFFAOYSA-N
XLogP17.93
TPSA1591.91 Ų
H-Bond Donors37
H-Bond Acceptors75
Rotatable Bonds133
Heavy Atoms350
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004849.69
LogP ≤ 517.93
H-Bond Donors ≤ 537
H-Bond Acceptors ≤ 1075

Analyze (6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate?
The IUPAC name of (6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate (CID 163515323) is (6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate.
What is the SMILES notation for (6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate?
The canonical SMILES for (6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate is COC(=O)c1ccc(O)cc1.COCCOCCCOc1ccc(C(=O)Cl)cc1.COCCOCCO.NC(N)=Nc1ccc(OC(=O)c2ccc(OCCNC(=O)CCCC(=O)NCCOCCNC(=O)CCCC(=O)NCCOc3ccc(C(=O)Oc4ccc(N=C(N)N)cc4)cc3)cc2)cc1.NCCOc1ccc(C(=O)Oc2ccc(N=C(N)N)cc2)cc1.O=C(CCCC(=O)ON1C(=O)CCC1=O)NCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O.[H]/N=C(\N)c1ccc(OC(=O)c2ccc(OCCN)cc2)cc1.[H]/N=C(\N)c1ccc(OC(=O)c2ccc(OCCNC(=O)CCCC(=O)NCCOCCNC(=O)CCCC(=O)NCCOc3ccc(C(=O)Oc4ccc(/C(N)=N/[H])cc4)cc3)cc2)cc1.[H]/N=C(\N)c1ccc2cc(OC(=O)c3ccc(OCCN)cc3)ccc2c1.[H]/N=C(\N)c1ccc2cc(OC(=O)c3ccc(OCCNC(=O)CCCC(=O)NCCOCCNC(=O)CCCC(=O)NCCOc4ccc(C(=O)Oc5ccc6cc(/C(N)=N/[H])ccc6c5)cc4)cc3)ccc2c1.
What is the InChIKey of (6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate?
The InChIKey is DGFCDFSOUSGSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H58N8O11.C46H56N10O11.C46H54N8O11.C22H30N4O11.C20H19N3O3.C16H18N4O3.C16H17N3O3.C13H17ClO4.C8H8O3.C5H12O3/c55-51(56)41-9-7-39-33-45(21-15-37(39)31-41)72-53(67)35-11-17-43(18-12-35)70-29-25-61-49(65)5-1-3-47(63)59-23-27-69-28-24-60-48(64)4-2-6-50(66)62-26-30-71-44-19-13-36(14-20-44)54(68)73-46-22-16-38-32-42(52(57)58)10-8-40(38)34-46;47-45(48)55-33-11-19-37(20-12-33)66-43(61)31-7-15-35(16-8-31)64-29-25-53-41(59)5-1-3-39(57)51-23-27-63-28-24-52-40(58)4-2-6-42(60)54-26-30-65-36-17-9-32(10-18-36)44(62)67-38-21-13-34(14-22-38)56-46(49)50;47-43(48)31-7-19-37(20-8-31)64-45(59)33-11-15-35(16-12-33)62-29-25-53-41(57)5-1-3-39(55)51-23-27-61-28-24-52-40(56)4-2-6-42(58)54-26-30-63-36-17-13-34(14-18-36)46(60)65-38-21-9-32(10-22-38)44(49)50;27-15(3-1-5-21(33)36-25-17(29)7-8-18(25)30)23-11-13-35-14-12-24-16(28)4-2-6-22(34)37-26-19(31)9-10-20(26)32;21-9-10-25-17-6-3-13(4-7-17)20(24)26-18-8-5-14-11-16(19(22)23)2-1-15(14)12-18;17-9-10-22-13-5-1-11(2-6-13)15(21)23-14-7-3-12(4-8-14)20-16(18)19;17-9-10-21-13-5-3-12(4-6-13)16(20)22-14-7-1-11(2-8-14)15(18)19;1-16-9-10-17-7-2-8-18-12-5-3-11(4-6-12)13(14)15;1-11-8(10)6-2-4-7(9)5-3-6;1-7-4-5-8-3-2-6/h7-22,31-34H,1-6,23-30H2,(H3,55,56)(H3,57,58)(H,59,63)(H,60,64)(H,61,65)(H,62,66);7-22H,1-6,23-30H2,(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H4,47,48,55)(H4,49,50,56);7-22H,1-6,23-30H2,(H3,47,48)(H3,49,50)(H,51,55)(H,52,56)(H,53,57)(H,54,58);1-14H2,(H,23,27)(H,24,28);1-8,11-12H,9-10,21H2,(H3,22,23);1-8H,9-10,17H2,(H4,18,19,20);1-8H,9-10,17H2,(H3,18,19);3-6H,2,7-10H2,1H3;2-5,9H,1H3;6H,2-5H2,1H3.
What are the key properties of (6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate?
(6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate has a molecular weight of 4849.69 g/mol, XLogP of 17.93, 133 rotatable bonds, 37 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for (6-carbamimidoylnaphthalen-2-yl) 4-(2-aminoethoxy)benzoate;(6-carbamimidoylnaphthalen-2-yl) 4-[2-[[5-[2-[2-[[5-[2-[4-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(4-carbamimidoylphenyl) 4-(2-aminoethoxy)benzoate;(4-carbamimidoylphenyl) 4-[2-[[5-[2-[2-[[5-[2-[4-(4-carbamimidoylphenoxy)carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;[4-(diaminomethylideneamino)phenyl] 4-(2-aminoethoxy)benzoate;[4-(diaminomethylideneamino)phenyl] 4-[2-[[5-[2-[2-[[5-[2-[4-[4-(diaminomethylideneamino)phenoxy]carbonylphenoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethoxy]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate;2-(2-methoxyethoxy)ethanol;4-[3-(2-methoxyethoxy)propoxy]benzoyl chloride;methyl 4-hydroxybenzoate is sourced from PubChem (CID 163515323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).