[2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+)

C112H158BrFeN24O45P3S2+2 — CID 59080881

IUPAC[2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+)
SMILESCC#CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCNC(=O)NCCN(CCOCCNC(=O)OCc1ccc(SSCC(N)C(=O)NCCOP(=O)(O)O)c(CCOCC(=O)NCCOCCOCCN(CCOCCOCCOCCNC(=O)CCC(NC(=O)c2ccc(N(Cc3cnc4nc(N)nc(O)c4n3)C(=O)OCc3ccc(OC(=O)N(C)CC[N+](C)(C)COP(=O)([O-])O)cc3)cc2)C(=O)O)C(=O)COCCOCP(=O)(O)COCCOC)c1)C(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Fe+2]
InChIInChI=1S/C112H158BrN24O45P3S2.Fe/c1-6-9-94(139)127-90-60-86-89(123-73-124-102(86)126-82-11-7-10-81(113)59-82)61-91(90)177-39-8-25-119-109(154)120-26-31-134(96(141)64-132(65-98(143)144)32-33-133(66-99(145)146)67-100(147)148)35-45-167-43-29-121-110(155)178-69-78-14-22-92(187-186-72-87(114)105(150)118-30-44-180-184(160,161)162)80(58-78)24-40-173-70-95(140)117-28-42-169-50-52-170-46-36-135(97(142)71-174-56-57-176-76-183(158,159)75-175-49-48-166-5)37-47-171-53-55-172-54-51-168-41-27-116-93(138)23-21-88(107(152)153)128-104(149)79-15-17-84(18-16-79)136(63-83-62-122-103-101(125-83)106(151)130-108(115)129-103)112(157)179-68-77-12-19-85(20-13-77)182-111(156)131(2)34-38-137(3,4)74-181-185(163,164)165;/h7,10-20,22,58-62,73,87-88H,8,21,23-57,63-72,74-76,114H2,1-5H3,(H20-,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,138,139,140,143,144,145,146,147,148,149,150,151,152,153,154,155,158,159,160,161,162,163,164,165);/q;+2
InChIKeyGPDXKVICLJMYQC-UHFFFAOYSA-N
MW2853.42 g/mol
LogP1.64
Rot. Bonds95

About [2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+)

[2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+) (PubChem CID 59080881) has the molecular formula C112H158BrFeN24O45P3S2+2 and a molecular weight of 2853.42 g/mol. Its IUPAC name is [2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+).

Molecular Properties

Compound Name[2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+)
PubChem CID59080881
Molecular FormulaC112H158BrFeN24O45P3S2+2
Molecular Weight2853.42 g/mol
Exact Mass2850.80
IUPAC Name[2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+)
SMILESCC#CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCNC(=O)NCCN(CCOCCNC(=O)OCc1ccc(SSCC(N)C(=O)NCCOP(=O)(O)O)c(CCOCC(=O)NCCOCCOCCN(CCOCCOCCOCCNC(=O)CCC(NC(=O)c2ccc(N(Cc3cnc4nc(N)nc(O)c4n3)C(=O)OCc3ccc(OC(=O)N(C)CC[N+](C)(C)COP(=O)([O-])O)cc3)cc2)C(=O)O)C(=O)COCCOCP(=O)(O)COCCOC)c1)C(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Fe+2]
InChIInChI=1S/C112H158BrN24O45P3S2.Fe/c1-6-9-94(139)127-90-60-86-89(123-73-124-102(86)126-82-11-7-10-81(113)59-82)61-91(90)177-39-8-25-119-109(154)120-26-31-134(96(141)64-132(65-98(143)144)32-33-133(66-99(145)146)67-100(147)148)35-45-167-43-29-121-110(155)178-69-78-14-22-92(187-186-72-87(114)105(150)118-30-44-180-184(160,161)162)80(58-78)24-40-173-70-95(140)117-28-42-169-50-52-170-46-36-135(97(142)71-174-56-57-176-76-183(158,159)75-175-49-48-166-5)37-47-171-53-55-172-54-51-168-41-27-116-93(138)23-21-88(107(152)153)128-104(149)79-15-17-84(18-16-79)136(63-83-62-122-103-101(125-83)106(151)130-108(115)129-103)112(157)179-68-77-12-19-85(20-13-77)182-111(156)131(2)34-38-137(3,4)74-181-185(163,164)165;/h7,10-20,22,58-62,73,87-88H,8,21,23-57,63-72,74-76,114H2,1-5H3,(H20-,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,138,139,140,143,144,145,146,147,148,149,150,151,152,153,154,155,158,159,160,161,162,163,164,165);/q;+2
InChIKeyGPDXKVICLJMYQC-UHFFFAOYSA-N
XLogP1.64
TPSA926.39 Ų
H-Bond Donors20
H-Bond Acceptors50
Rotatable Bonds95
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002853.42
LogP ≤ 51.64
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+)?
The IUPAC name of [2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+) (CID 59080881) is [2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+).
What is the SMILES notation for [2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+)?
The canonical SMILES for [2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+) is CC#CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCNC(=O)NCCN(CCOCCNC(=O)OCc1ccc(SSCC(N)C(=O)NCCOP(=O)(O)O)c(CCOCC(=O)NCCOCCOCCN(CCOCCOCCOCCNC(=O)CCC(NC(=O)c2ccc(N(Cc3cnc4nc(N)nc(O)c4n3)C(=O)OCc3ccc(OC(=O)N(C)CC[N+](C)(C)COP(=O)([O-])O)cc3)cc2)C(=O)O)C(=O)COCCOCP(=O)(O)COCCOC)c1)C(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Fe+2].
What is the InChIKey of [2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+)?
The InChIKey is GPDXKVICLJMYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H158BrN24O45P3S2.Fe/c1-6-9-94(139)127-90-60-86-89(123-73-124-102(86)126-82-11-7-10-81(113)59-82)61-91(90)177-39-8-25-119-109(154)120-26-31-134(96(141)64-132(65-98(143)144)32-33-133(66-99(145)146)67-100(147)148)35-45-167-43-29-121-110(155)178-69-78-14-22-92(187-186-72-87(114)105(150)118-30-44-180-184(160,161)162)80(58-78)24-40-173-70-95(140)117-28-42-169-50-52-170-46-36-135(97(142)71-174-56-57-176-76-183(158,159)75-175-49-48-166-5)37-47-171-53-55-172-54-51-168-41-27-116-93(138)23-21-88(107(152)153)128-104(149)79-15-17-84(18-16-79)136(63-83-62-122-103-101(125-83)106(151)130-108(115)129-103)112(157)179-68-77-12-19-85(20-13-77)182-111(156)131(2)34-38-137(3,4)74-181-185(163,164)165;/h7,10-20,22,58-62,73,87-88H,8,21,23-57,63-72,74-76,114H2,1-5H3,(H20-,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,138,139,140,143,144,145,146,147,148,149,150,151,152,153,154,155,158,159,160,161,162,163,164,165);/q;+2.
What are the key properties of [2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+)?
[2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+) has a molecular weight of 2853.42 g/mol, XLogP of 1.64, 95 rotatable bonds, 20 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[[(2-amino-4-hydroxypteridin-6-yl)methyl-[4-[[4-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[2-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-5-[2-[2-[[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]-[2-[3-[4-(3-bromoanilino)-6-(but-2-ynoylamino)quinazolin-7-yl]oxypropylcarbamoylamino]ethyl]amino]ethoxy]ethylcarbamoyloxymethyl]phenyl]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl-[2-[2-[[hydroxy(2-methoxyethoxymethyl)phosphoryl]methoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]phenyl]carbamoyl]oxymethyl]phenoxy]carbonyl-methylamino]ethyl-dimethylazaniumyl]methyl hydrogen phosphate;iron(2+) is sourced from PubChem (CID 59080881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).