methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate

C49H82N8O11 — CID 630526

About methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate

methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate (PubChem CID 630526) has the molecular formula C49H82N8O11 and a molecular weight of 959.24 g/mol. Its IUPAC name is methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate.

Molecular Properties

• Compound Name: methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate
• PubChem CID: 630526
• Molecular Formula: C49H82N8O11
• Molecular Weight: 959.24 g/mol
• Exact Mass: 958.61
• IUPAC Name: methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate
• SMILES: COC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C)N(C)C(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C)N(C)C(=O)OCc1ccccc1
• InChI: InChI=1S/C49H82N8O11/c1-30(2)25-37(45(62)52(13)34(9)43(60)56(17)41(32(5)6)46(63)51(12)28-40(59)55(16)38(26-31(3)4)48(65)67-19)54(15)39(58)27-50(11)47(64)42(33(7)8)57(18)44(61)35(10)53(14)49(66)68-29-36-23-21-20-22-24-36/h20-24,30-35,37-38,41-42H,25-29H2,1-19H3
• InChIKey: ZQRNIIHJCVMABQ-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 198.01 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 24
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.24
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate?

The IUPAC name of methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate (CID 630526) is methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate.

What is the SMILES notation for methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate?

The canonical SMILES for methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate is COC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C)N(C)C(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C)N(C)C(=O)OCc1ccccc1.

What is the InChIKey of methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate?

The InChIKey is ZQRNIIHJCVMABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H82N8O11/c1-30(2)25-37(45(62)52(13)34(9)43(60)56(17)41(32(5)6)46(63)51(12)28-40(59)55(16)38(26-31(3)4)48(65)67-19)54(15)39(58)27-50(11)47(64)42(33(7)8)57(18)44(61)35(10)53(14)49(66)68-29-36-23-21-20-22-24-36/h20-24,30-35,37-38,41-42H,25-29H2,1-19H3.

What are the key properties of methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate?

methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate has a molecular weight of 959.24 g/mol, XLogP of 3.29, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[4-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]pentanoate is sourced from PubChem (CID 630526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).