methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C42H58N6O6 — CID 68510825

About methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 68510825) has the molecular formula C42H58N6O6 and a molecular weight of 742.96 g/mol. Its IUPAC name is methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 68510825
• Molecular Formula: C42H58N6O6
• Molecular Weight: 742.96 g/mol
• Exact Mass: 742.44
• IUPAC Name: methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• SMILES: CCC(C)C(C(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)C(NC(=O)OC)C(C)(C)C)N1CCN(Cc2cccnc2C)C1=O
• InChI: InChI=1S/C42H58N6O6/c1-8-28(2)36(48-23-22-47(41(48)53)27-32-20-15-21-43-29(32)3)38(50)44-33(24-30-16-11-9-12-17-30)26-35(49)34(25-31-18-13-10-14-19-31)45-39(51)37(42(4,5)6)46-40(52)54-7/h9-21,28,33-37,49H,8,22-27H2,1-7H3,(H,44,50)(H,45,51)(H,46,52)
• InChIKey: OJHNXZSYSBDTOS-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 153.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.96
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 68510825) is methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is CCC(C)C(C(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)C(NC(=O)OC)C(C)(C)C)N1CCN(Cc2cccnc2C)C1=O.

What is the InChIKey of methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The InChIKey is OJHNXZSYSBDTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H58N6O6/c1-8-28(2)36(48-23-22-47(41(48)53)27-32-20-15-21-43-29(32)3)38(50)44-33(24-30-16-11-9-12-17-30)26-35(49)34(25-31-18-13-10-14-19-31)45-39(51)37(42(4,5)6)46-40(52)54-7/h9-21,28,33-37,49H,8,22-27H2,1-7H3,(H,44,50)(H,45,51)(H,46,52).

What are the key properties of methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 742.96 g/mol, XLogP of 5.02, 17 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[[3-hydroxy-5-[[3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 68510825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).