methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C41H65N7O7 — CID 11686421

About methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 11686421) has the molecular formula C41H65N7O7 and a molecular weight of 768.01 g/mol. Its IUPAC name is methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 11686421
• Molecular Formula: C41H65N7O7
• Molecular Weight: 768.01 g/mol
• Exact Mass: 767.49
• IUPAC Name: methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• SMILES: CCC(C)C(C(=O)NC(Cc1ccccc1)C(O)CN(CCC(C)C)NC(=O)C(NC(=O)OC)C(C)(C)C)N1CCN(Cc2cccc(C(C)(C)O)n2)C1=O
• InChI: InChI=1S/C41H65N7O7/c1-11-28(4)34(48-23-22-46(39(48)53)25-30-18-15-19-33(42-30)41(8,9)54)36(50)43-31(24-29-16-13-12-14-17-29)32(49)26-47(21-20-27(2)3)45-37(51)35(40(5,6)7)44-38(52)55-10/h12-19,27-28,31-32,34-35,49,54H,11,20-26H2,1-10H3,(H,43,50)(H,44,52)(H,45,51)
• InChIKey: LCRDGUPXQJNPFR-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 176.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	768.01
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 11686421) is methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is CCC(C)C(C(=O)NC(Cc1ccccc1)C(O)CN(CCC(C)C)NC(=O)C(NC(=O)OC)C(C)(C)C)N1CCN(Cc2cccc(C(C)(C)O)n2)C1=O.

What is the InChIKey of methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The InChIKey is LCRDGUPXQJNPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H65N7O7/c1-11-28(4)34(48-23-22-46(39(48)53)25-30-18-15-19-33(42-30)41(8,9)54)36(50)43-31(24-29-16-13-12-14-17-29)32(49)26-47(21-20-27(2)3)45-37(51)35(40(5,6)7)44-38(52)55-10/h12-19,27-28,31-32,34-35,49,54H,11,20-26H2,1-10H3,(H,43,50)(H,44,52)(H,45,51).

What are the key properties of methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 768.01 g/mol, XLogP of 4.20, 19 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]-2-(3-methylbutyl)hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 11686421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).