6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid

C61H73N27O23 — CID 177482398

About 6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid

6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid (PubChem CID 177482398) has the molecular formula C61H73N27O23 and a molecular weight of 1552.42 g/mol. Its IUPAC name is 6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid
• PubChem CID: 177482398
• Molecular Formula: C61H73N27O23
• Molecular Weight: 1552.42 g/mol
• Exact Mass: 1551.54
• IUPAC Name: 6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid
• SMILES: Cc1cn(N(CC(=O)NC(CCCCN)C(=O)O)C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN(C(=O)C(N)CCCCN)n2cc(C)c(=O)[nH]c2=O)n2cc(C#CCO)c(=O)[nH]c2=O)n2cc(C)c(=O)[nH]c2=O)n2ccc(N)nc2=O)n2ccc(N)nc2=O)n2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
• InChI: InChI=1S/C61H73N27O23/c1-32-20-84(57(107)70-48(32)97)77(25-41(90)67-38(54(103)104)12-6-8-16-63)42(91)28-80(85-21-33(2)49(98)71-58(85)108)45(94)27-79(76-18-14-40(66)69-56(76)106)43(92)26-78(75-17-13-39(65)68-55(75)105)44(93)29-81(86-22-34(3)50(99)72-59(86)109)46(95)30-82(88-24-36(10-9-19-89)52(101)74-61(88)111)47(96)31-83(53(102)37(64)11-5-7-15-62)87-23-35(4)51(100)73-60(87)110/h13-14,17-18,20-24,37-38,89H,5-8,11-12,15-16,19,25-31,62-64H2,1-4H3,(H,67,90)(H,103,104)(H2,65,68,105)(H2,66,69,106)(H,70,97,107)(H,71,98,108)(H,72,99,109)(H,73,100,110)(H,74,101,111)
• InChIKey: WTHPKRCSURBNOE-UHFFFAOYSA-N
• XLogP: -13.60
• TPSA: 702.98 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1552.42
LogP ≤ 5	-13.60
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid?

The IUPAC name of 6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid (CID 177482398) is 6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid.

What is the SMILES notation for 6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid?

The canonical SMILES for 6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid is Cc1cn(N(CC(=O)NC(CCCCN)C(=O)O)C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN(C(=O)C(N)CCCCN)n2cc(C)c(=O)[nH]c2=O)n2cc(C#CCO)c(=O)[nH]c2=O)n2cc(C)c(=O)[nH]c2=O)n2ccc(N)nc2=O)n2ccc(N)nc2=O)n2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O.

What is the InChIKey of 6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid?

The InChIKey is WTHPKRCSURBNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H73N27O23/c1-32-20-84(57(107)70-48(32)97)77(25-41(90)67-38(54(103)104)12-6-8-16-63)42(91)28-80(85-21-33(2)49(98)71-58(85)108)45(94)27-79(76-18-14-40(66)69-56(76)106)43(92)26-78(75-17-13-39(65)68-55(75)105)44(93)29-81(86-22-34(3)50(99)72-59(86)109)46(95)30-82(88-24-36(10-9-19-89)52(101)74-61(88)111)47(96)31-83(53(102)37(64)11-5-7-15-62)87-23-35(4)51(100)73-60(87)110/h13-14,17-18,20-24,37-38,89H,5-8,11-12,15-16,19,25-31,62-64H2,1-4H3,(H,67,90)(H,103,104)(H2,65,68,105)(H2,66,69,106)(H,70,97,107)(H,71,98,108)(H,72,99,109)(H,73,100,110)(H,74,101,111).

What are the key properties of 6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid?

6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid has a molecular weight of 1552.42 g/mol, XLogP of -13.60, 32 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[[2-[[2-[[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[(4-amino-2-oxopyrimidin-1-yl)-[2-[[2-[[2-[2,6-diaminohexanoyl-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-[5-(3-hydroxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]acetyl]amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]-(5-methyl-2,4-dioxopyrimidin-1-yl)amino]acetyl]amino]hexanoic acid is sourced from PubChem (CID 177482398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).