bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium

C176H251ClN37O51Zr2-5 — CID 162046301

IUPACbis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium
SMILESCC(C)(C)OC(=O)NCCOCCNC(=O)C(CCCNCCCN)NCCCN.C[C-]=O.C[C-]=O.C[C-]=O.C[C-]=O.C[C-]=O.Cc1c(C(=O)Cl)ccn(C)c1=O.Cc1c(C(=O)NCCCN(CCCC(C(=O)NCCOCCNC(=O)OC(C)(C)C)N(CCCNC(=O)c2ccn(C)c(=O)c2C)C(=O)c2ccn(C)c(=O)c2C)C(=O)c2ccn(C)c(=O)c2C)ccn(C)c1=O.Cn1ccc(C(=O)NCCCN(CCCC(C(=O)NCCOCCN)N(CCCNC(=O)c2ccn(C)c(=O)c2O)C(=O)c2ccn(C)c(=O)c2O)C(=O)c2ccn(C)c(=O)c2O)c(O)c1=O.Cn1ccc(C(=O)NCCCN(CCCC(C(=O)NCCOCCN)N(CCCNC(=O)c2ccn(C)c(=O)c2O)C(=O)c2ccn(C)c(=O)c2O)C(=O)c2ccn(C)c(=O)c2O)c(O)c1=O.[Zr].[Zr]
InChIInChI=1S/C52H72N10O12.2C43H56N10O14.C20H44N6O4.C8H8ClNO2.5C2H3O.2Zr/c1-33-37(16-27-57(8)45(33)66)42(63)53-20-13-25-61(49(70)39-18-29-59(10)47(68)35(39)3)24-12-15-41(44(65)55-22-31-73-32-23-56-51(72)74-52(5,6)7)62(50(71)40-19-30-60(11)48(69)36(40)4)26-14-21-54-43(64)38-17-28-58(9)46(67)34(38)2;2*1-48-20-9-26(31(54)40(48)63)35(58)45-14-6-18-52(38(61)28-11-22-50(3)42(65)33(28)56)17-5-8-30(37(60)47-16-25-67-24-13-44)53(39(62)29-12-23-51(4)43(66)34(29)57)19-7-15-46-36(59)27-10-21-49(2)41(64)32(27)55;1-20(2,3)30-19(28)26-14-16-29-15-13-25-18(27)17(24-12-6-9-22)7-4-10-23-11-5-8-21;1-5-6(7(9)11)3-4-10(2)8(5)12;5*1-2-3;;/h16-19,27-30,41H,12-15,20-26,31-32H2,1-11H3,(H,53,63)(H,54,64)(H,55,65)(H,56,72);2*9-12,20-23,30,54-57H,5-8,13-19,24-25,44H2,1-4H3,(H,45,58)(H,46,59)(H,47,60);17,23-24H,4-16,21-22H2,1-3H3,(H,25,27)(H,26,28);3-4H,1-2H3;5*1H3;;/q;;;;;5*-1;;
InChIKeyDNSMNVUZHVGXND-UHFFFAOYSA-N
MW3919.05 g/mol
LogP-1.40
Rot. Bonds89

About bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium

bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium (PubChem CID 162046301) has the molecular formula C176H251ClN37O51Zr2-5 and a molecular weight of 3919.05 g/mol. Its IUPAC name is bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium.

Molecular Properties

Compound Namebis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium
PubChem CID162046301
Molecular FormulaC176H251ClN37O51Zr2-5
Molecular Weight3919.05 g/mol
Exact Mass3913.60
IUPAC Namebis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium
SMILESCC(C)(C)OC(=O)NCCOCCNC(=O)C(CCCNCCCN)NCCCN.C[C-]=O.C[C-]=O.C[C-]=O.C[C-]=O.C[C-]=O.Cc1c(C(=O)Cl)ccn(C)c1=O.Cc1c(C(=O)NCCCN(CCCC(C(=O)NCCOCCNC(=O)OC(C)(C)C)N(CCCNC(=O)c2ccn(C)c(=O)c2C)C(=O)c2ccn(C)c(=O)c2C)C(=O)c2ccn(C)c(=O)c2C)ccn(C)c1=O.Cn1ccc(C(=O)NCCCN(CCCC(C(=O)NCCOCCN)N(CCCNC(=O)c2ccn(C)c(=O)c2O)C(=O)c2ccn(C)c(=O)c2O)C(=O)c2ccn(C)c(=O)c2O)c(O)c1=O.Cn1ccc(C(=O)NCCCN(CCCC(C(=O)NCCOCCN)N(CCCNC(=O)c2ccn(C)c(=O)c2O)C(=O)c2ccn(C)c(=O)c2O)C(=O)c2ccn(C)c(=O)c2O)c(O)c1=O.[Zr].[Zr]
InChIInChI=1S/C52H72N10O12.2C43H56N10O14.C20H44N6O4.C8H8ClNO2.5C2H3O.2Zr/c1-33-37(16-27-57(8)45(33)66)42(63)53-20-13-25-61(49(70)39-18-29-59(10)47(68)35(39)3)24-12-15-41(44(65)55-22-31-73-32-23-56-51(72)74-52(5,6)7)62(50(71)40-19-30-60(11)48(69)36(40)4)26-14-21-54-43(64)38-17-28-58(9)46(67)34(38)2;2*1-48-20-9-26(31(54)40(48)63)35(58)45-14-6-18-52(38(61)28-11-22-50(3)42(65)33(28)56)17-5-8-30(37(60)47-16-25-67-24-13-44)53(39(62)29-12-23-51(4)43(66)34(29)57)19-7-15-46-36(59)27-10-21-49(2)41(64)32(27)55;1-20(2,3)30-19(28)26-14-16-29-15-13-25-18(27)17(24-12-6-9-22)7-4-10-23-11-5-8-21;1-5-6(7(9)11)3-4-10(2)8(5)12;5*1-2-3;;/h16-19,27-30,41H,12-15,20-26,31-32H2,1-11H3,(H,53,63)(H,54,64)(H,55,65)(H,56,72);2*9-12,20-23,30,54-57H,5-8,13-19,24-25,44H2,1-4H3,(H,45,58)(H,46,59)(H,47,60);17,23-24H,4-16,21-22H2,1-3H3,(H,25,27)(H,26,28);3-4H,1-2H3;5*1H3;;/q;;;;;5*-1;;
InChIKeyDNSMNVUZHVGXND-UHFFFAOYSA-N
XLogP-1.40
TPSA1204.84 Ų
H-Bond Donors26
H-Bond Acceptors70
Rotatable Bonds89
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003919.05
LogP ≤ 5-1.40
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1070

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium?
The IUPAC name of bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium (CID 162046301) is bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium.
What is the SMILES notation for bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium?
The canonical SMILES for bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium is CC(C)(C)OC(=O)NCCOCCNC(=O)C(CCCNCCCN)NCCCN.C[C-]=O.C[C-]=O.C[C-]=O.C[C-]=O.C[C-]=O.Cc1c(C(=O)Cl)ccn(C)c1=O.Cc1c(C(=O)NCCCN(CCCC(C(=O)NCCOCCNC(=O)OC(C)(C)C)N(CCCNC(=O)c2ccn(C)c(=O)c2C)C(=O)c2ccn(C)c(=O)c2C)C(=O)c2ccn(C)c(=O)c2C)ccn(C)c1=O.Cn1ccc(C(=O)NCCCN(CCCC(C(=O)NCCOCCN)N(CCCNC(=O)c2ccn(C)c(=O)c2O)C(=O)c2ccn(C)c(=O)c2O)C(=O)c2ccn(C)c(=O)c2O)c(O)c1=O.Cn1ccc(C(=O)NCCCN(CCCC(C(=O)NCCOCCN)N(CCCNC(=O)c2ccn(C)c(=O)c2O)C(=O)c2ccn(C)c(=O)c2O)C(=O)c2ccn(C)c(=O)c2O)c(O)c1=O.[Zr].[Zr].
What is the InChIKey of bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium?
The InChIKey is DNSMNVUZHVGXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H72N10O12.2C43H56N10O14.C20H44N6O4.C8H8ClNO2.5C2H3O.2Zr/c1-33-37(16-27-57(8)45(33)66)42(63)53-20-13-25-61(49(70)39-18-29-59(10)47(68)35(39)3)24-12-15-41(44(65)55-22-31-73-32-23-56-51(72)74-52(5,6)7)62(50(71)40-19-30-60(11)48(69)36(40)4)26-14-21-54-43(64)38-17-28-58(9)46(67)34(38)2;2*1-48-20-9-26(31(54)40(48)63)35(58)45-14-6-18-52(38(61)28-11-22-50(3)42(65)33(28)56)17-5-8-30(37(60)47-16-25-67-24-13-44)53(39(62)29-12-23-51(4)43(66)34(29)57)19-7-15-46-36(59)27-10-21-49(2)41(64)32(27)55;1-20(2,3)30-19(28)26-14-16-29-15-13-25-18(27)17(24-12-6-9-22)7-4-10-23-11-5-8-21;1-5-6(7(9)11)3-4-10(2)8(5)12;5*1-2-3;;/h16-19,27-30,41H,12-15,20-26,31-32H2,1-11H3,(H,53,63)(H,54,64)(H,55,65)(H,56,72);2*9-12,20-23,30,54-57H,5-8,13-19,24-25,44H2,1-4H3,(H,45,58)(H,46,59)(H,47,60);17,23-24H,4-16,21-22H2,1-3H3,(H,25,27)(H,26,28);3-4H,1-2H3;5*1H3;;/q;;;;;5*-1;;.
What are the key properties of bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium?
bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium has a molecular weight of 3919.05 g/mol, XLogP of -1.40, 89 rotatable bonds, 26 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[3-[[5-[2-(2-aminoethoxy)ethylamino]-4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-5-oxopentyl]-(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide);tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2,5-bis[(1,3-dimethyl-2-oxopyridine-4-carbonyl)-[3-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate;1,3-dimethyl-2-oxopyridine-4-carbonyl chloride;ethanone;zirconium is sourced from PubChem (CID 162046301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).