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

C41H56FN7O6 — CID 68686166

IUPACmethyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCCC(C)C(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(F)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C)N1CCN(Cc2cccc(C)n2)C1=O
InChIInChI=1S/C41H56FN7O6/c1-8-27(2)35(49-22-21-47(40(49)54)25-32-16-12-13-28(3)43-32)37(51)44-33(23-29-14-10-9-11-15-29)34(50)26-48(24-30-17-19-31(42)20-18-30)46-38(52)36(41(4,5)6)45-39(53)55-7/h9-20,27,33-36,50H,8,21-26H2,1-7H3,(H,44,51)(H,45,53)(H,46,52)
InChIKeyMSTYXVQNQSBGBH-UHFFFAOYSA-N
MW761.94 g/mol
LogP4.57
Rot. Bonds17

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

methyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 68686166) has the molecular formula C41H56FN7O6 and a molecular weight of 761.94 g/mol. Its IUPAC name is methyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
PubChem CID68686166
Molecular FormulaC41H56FN7O6
Molecular Weight761.94 g/mol
Exact Mass761.43
IUPAC Namemethyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCCC(C)C(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(F)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C)N1CCN(Cc2cccc(C)n2)C1=O
InChIInChI=1S/C41H56FN7O6/c1-8-27(2)35(49-22-21-47(40(49)54)25-32-16-12-13-28(3)43-32)37(51)44-33(23-29-14-10-9-11-15-29)34(50)26-48(24-30-17-19-31(42)20-18-30)46-38(52)36(41(4,5)6)45-39(53)55-7/h9-20,27,33-36,50H,8,21-26H2,1-7H3,(H,44,51)(H,45,53)(H,46,52)
InChIKeyMSTYXVQNQSBGBH-UHFFFAOYSA-N
XLogP4.57
TPSA156.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500761.94
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

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methyl (1S)-1-[({(1S,2S,4S)-4-{[(2S)-2-(3-benzyl-2-oxo-1-imidazolidinyl)-3,3-dimethylbutanoyl]amino}-2-hydroxy-5-phenyl-1-[4-(2-pyridinyl)benzyl]pentyl}amino)carbonyl]-2,2-dimethylpropylcarbamate
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3-Methyl-L-valine 2-((2S,3S)-2-hydroxy-3-(((2S)-2-((methoxycarbonyl)amino)-3,3-dimethyl-1-oxobutyl)amino)-4-phenylbutyl)-2-((4-(2-pyridinyl)phenyl)methyl)hydrazide
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2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-
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methyl N-[(1S)-1-[[(1S,2S)-1-benzyl-2-hydroxy-3-[[[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]amino]-[[4-(2-pyridyl)phenyl]methyl]amino]propyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
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methyl N-[(1S)-1-[[(1S,2S)-1-benzyl-2-hydroxy-3-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[[4-(2-pyridyl)phenyl]methyl]amino]propyl]carbamoyl]-2-methyl-propyl]carbamate
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methyl N-[(1S)-1-[[(1S,2S,4S)-4-[[(2S)-3,3-dimethyl-2-[3-[(6-methyl-2-pyridyl)methyl]-2-oxo-imidazolidin-1-yl]butanoyl]amino]-2-hydroxy-5-phenyl-1-[[4-(2-pyridyl)phenyl]methyl]pentyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 68686166) is methyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is CCC(C)C(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(F)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C)N1CCN(Cc2cccc(C)n2)C1=O.
What is the InChIKey of methyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The InChIKey is MSTYXVQNQSBGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H56FN7O6/c1-8-27(2)35(49-22-21-47(40(49)54)25-32-16-12-13-28(3)43-32)37(51)44-33(23-29-14-10-9-11-15-29)34(50)26-48(24-30-17-19-31(42)20-18-30)46-38(52)36(41(4,5)6)45-39(53)55-7/h9-20,27,33-36,50H,8,21-26H2,1-7H3,(H,44,51)(H,45,53)(H,46,52).
What are the key properties of methyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
methyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 761.94 g/mol, XLogP of 4.57, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-[(4-fluorophenyl)methyl]-2-[2-hydroxy-3-[[3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 68686166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).