2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium

C103H158Fm5N16O48P2 — CID 59081054

About 2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium

2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium (PubChem CID 59081054) has the molecular formula C103H158Fm5N16O48P2 and a molecular weight of 3735.41 g/mol. Its IUPAC name is 2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium.

Molecular Properties

• Compound Name: 2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium
• PubChem CID: 59081054
• Molecular Formula: C103H158Fm5N16O48P2
• Molecular Weight: 3735.41 g/mol
• Exact Mass: 3734.46
• IUPAC Name: 2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium
• SMILES: CCCCCCCNC(=O)CCOCCOCCOCCNC(=O)C(CC(=O)NCCOCCOCCOCCNC(=O)CCP(=O)(O)CC(CCC(=O)O)C(=O)O)NC(=O)COCCOCCOCCOCC(=O)NC(CC(=O)NCCOCCOCCCNC(=O)CCC(NC(=O)c1ccc(N(Cc2cnc3nc(N)nc(O)c3n2)C(=O)OCc2ccc(OP3(=O)OCCCO3)c(C(=O)OCOC(=O)CCC(=O)O)c2)cc1)C(=O)O)C(=O)NCCOCCOCCOCCC(=O)O.[Fm].[Fm].[Fm].[Fm].[Fm]
• InChI: InChI=1S/C103H158N16O48P2.5Fm/c1-2-3-4-5-6-24-105-83(121)21-34-148-42-49-155-53-47-153-39-29-110-97(136)80(64-86(124)109-28-38-152-46-52-157-51-45-150-36-26-107-84(122)23-61-168(144,145)70-74(99(138)139)12-18-89(127)128)115-88(126)69-161-60-58-159-56-55-158-57-59-160-68-87(125)114-79(96(135)111-30-40-154-48-54-156-50-43-149-35-22-91(131)132)63-85(123)108-27-37-151-44-41-147-31-7-25-106-82(120)17-15-78(100(140)141)116-95(134)73-10-13-76(14-11-73)119(66-75-65-112-94-93(113-75)98(137)118-102(104)117-94)103(143)162-67-72-9-16-81(167-169(146)165-32-8-33-166-169)77(62-72)101(142)164-71-163-92(133)20-19-90(129)130;;;;;/h9-11,13-14,16,62,65,74,78-80H,2-8,12,15,17-61,63-64,66-71H2,1H3,(H,105,121)(H,106,120)(H,107,122)(H,108,123)(H,109,124)(H,110,136)(H,111,135)(H,114,125)(H,115,126)(H,116,134)(H,127,128)(H,129,130)(H,131,132)(H,138,139)(H,140,141)(H,144,145)(H3,104,112,117,118,137)
• InChIKey: KROUQDWZXYJJBO-UHFFFAOYSA-N
• XLogP: -0.28
• TPSA: 877.96 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 47
• Rotatable Bonds: 101
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3735.41
LogP ≤ 5	-0.28
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium?

The IUPAC name of 2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium (CID 59081054) is 2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium.

What is the SMILES notation for 2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium?

The canonical SMILES for 2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium is CCCCCCCNC(=O)CCOCCOCCOCCNC(=O)C(CC(=O)NCCOCCOCCOCCNC(=O)CCP(=O)(O)CC(CCC(=O)O)C(=O)O)NC(=O)COCCOCCOCCOCC(=O)NC(CC(=O)NCCOCCOCCCNC(=O)CCC(NC(=O)c1ccc(N(Cc2cnc3nc(N)nc(O)c3n2)C(=O)OCc2ccc(OP3(=O)OCCCO3)c(C(=O)OCOC(=O)CCC(=O)O)c2)cc1)C(=O)O)C(=O)NCCOCCOCCOCCC(=O)O.[Fm].[Fm].[Fm].[Fm].[Fm].

What is the InChIKey of 2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium?

The InChIKey is KROUQDWZXYJJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H158N16O48P2.5Fm/c1-2-3-4-5-6-24-105-83(121)21-34-148-42-49-155-53-47-153-39-29-110-97(136)80(64-86(124)109-28-38-152-46-52-157-51-45-150-36-26-107-84(122)23-61-168(144,145)70-74(99(138)139)12-18-89(127)128)115-88(126)69-161-60-58-159-56-55-158-57-59-160-68-87(125)114-79(96(135)111-30-40-154-48-54-156-50-43-149-35-22-91(131)132)63-85(123)108-27-37-151-44-41-147-31-7-25-106-82(120)17-15-78(100(140)141)116-95(134)73-10-13-76(14-11-73)119(66-75-65-112-94-93(113-75)98(137)118-102(104)117-94)103(143)162-67-72-9-16-81(167-169(146)165-32-8-33-166-169)77(62-72)101(142)164-71-163-92(133)20-19-90(129)130;;;;;/h9-11,13-14,16,62,65,74,78-80H,2-8,12,15,17-61,63-64,66-71H2,1H3,(H,105,121)(H,106,120)(H,107,122)(H,108,123)(H,109,124)(H,110,136)(H,111,135)(H,114,125)(H,115,126)(H,116,134)(H,127,128)(H,129,130)(H,131,132)(H,138,139)(H,140,141)(H,144,145)(H3,104,112,117,118,137);;;;;.

What are the key properties of 2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium?

2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium has a molecular weight of 3735.41 g/mol, XLogP of -0.28, 101 rotatable bonds, 18 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[3-[2-[2-[2-[2-[[3-[[2-[2-[2-[2-[2-[[4-[2-[2-[3-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-1-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[2-[2-[2-[3-(heptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid;fermium is sourced from PubChem (CID 59081054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).