N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide

C52H67N29O14 — CID 155359347

About N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide

N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide (PubChem CID 155359347) has the molecular formula C52H67N29O14 and a molecular weight of 1322.30 g/mol. Its IUPAC name is N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide
• PubChem CID: 155359347
• Molecular Formula: C52H67N29O14
• Molecular Weight: 1322.30 g/mol
• Exact Mass: 1321.54
• IUPAC Name: N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide
• SMILES: NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC=O)C(=O)Cn1ccc(N)nc1=O)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1ccc(N)nc1=O)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1ccc(N)nc1=O
• InChI: InChI=1S/C52H67N29O14/c53-4-12-73(39(88)24-78-10-2-32(55)68-51(78)94)19-34(83)60-7-16-76(42(91)27-81-30-66-44-47(81)70-49(58)71-48(44)92)22-37(86)61-6-14-74(40(89)25-79-11-3-33(56)69-52(79)95)20-36(85)62-8-15-75(41(90)26-80-29-65-43-45(57)63-28-64-46(43)80)21-35(84)59-5-13-72(17-18-82)38(87)23-77-9-1-31(54)67-50(77)93/h1-3,9-11,18,28-30H,4-8,12-17,19-27,53H2,(H,59,84)(H,60,83)(H,61,86)(H,62,85)(H2,54,67,93)(H2,55,68,94)(H2,56,69,95)(H2,57,63,64)(H3,58,70,71,92)
• InChIKey: IHOFZZHAQHTSED-UHFFFAOYSA-N
• XLogP: -10.59
• TPSA: 602.98 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 34
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1322.30
LogP ≤ 5	-10.59
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide?

The IUPAC name of N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide (CID 155359347) is N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide.

What is the SMILES notation for N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide?

The canonical SMILES for N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide is NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC=O)C(=O)Cn1ccc(N)nc1=O)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1ccc(N)nc1=O)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1ccc(N)nc1=O.

What is the InChIKey of N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide?

The InChIKey is IHOFZZHAQHTSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H67N29O14/c53-4-12-73(39(88)24-78-10-2-32(55)68-51(78)94)19-34(83)60-7-16-76(42(91)27-81-30-66-44-47(81)70-49(58)71-48(44)92)22-37(86)61-6-14-74(40(89)25-79-11-3-33(56)69-52(79)95)20-36(85)62-8-15-75(41(90)26-80-29-65-43-45(57)63-28-64-46(43)80)21-35(84)59-5-13-72(17-18-82)38(87)23-77-9-1-31(54)67-50(77)93/h1-3,9-11,18,28-30H,4-8,12-17,19-27,53H2,(H,59,84)(H,60,83)(H,61,86)(H,62,85)(H2,54,67,93)(H2,55,68,94)(H2,56,69,95)(H2,57,63,64)(H3,58,70,71,92).

What are the key properties of N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide?

N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide has a molecular weight of 1322.30 g/mol, XLogP of -10.59, 34 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide is sourced from PubChem (CID 155359347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).