4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid

C48H88N8O11 — CID 10887554

About 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid

4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid (PubChem CID 10887554) has the molecular formula C48H88N8O11 and a molecular weight of 953.28 g/mol. Its IUPAC name is 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid.

Molecular Properties

• Compound Name: 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
• PubChem CID: 10887554
• Molecular Formula: C48H88N8O11
• Molecular Weight: 953.28 g/mol
• Exact Mass: 952.66
• IUPAC Name: 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
• SMILES: CC(C)(CCC(=O)O)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-]
• InChI: InChI=1S/C48H88N8O11/c1-41(2,25-18-34(58)50-43(5,6)27-20-36(60)52-45(9,10)29-22-38(62)54-47(13,14)31-24-40(64)65)49-33(57)17-26-42(3,4)51-35(59)19-28-44(7,8)53-37(61)21-30-46(11,12)55-39(63)23-32-48(15,16)56(66)67/h17-32H2,1-16H3,(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,55,63)(H,64,65)
• InChIKey: OWXMUKDOTQNXIP-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 284.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 32
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	953.28
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid?

The IUPAC name of 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid (CID 10887554) is 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid.

What is the SMILES notation for 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid?

The canonical SMILES for 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-].

What is the InChIKey of 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid?

The InChIKey is OWXMUKDOTQNXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H88N8O11/c1-41(2,25-18-34(58)50-43(5,6)27-20-36(60)52-45(9,10)29-22-38(62)54-47(13,14)31-24-40(64)65)49-33(57)17-26-42(3,4)51-35(59)19-28-44(7,8)53-37(61)21-30-46(11,12)55-39(63)23-32-48(15,16)56(66)67/h17-32H2,1-16H3,(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,55,63)(H,64,65).

What are the key properties of 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid?

4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid has a molecular weight of 953.28 g/mol, XLogP of 5.63, 32 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid is sourced from PubChem (CID 10887554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).