[(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid

C41H57N7O7 — CID 68687654

About [(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid

[(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid (PubChem CID 68687654) has the molecular formula C41H57N7O7 and a molecular weight of 759.95 g/mol. Its IUPAC name is [(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid
• PubChem CID: 68687654
• Molecular Formula: C41H57N7O7
• Molecular Weight: 759.95 g/mol
• Exact Mass: 759.43
• IUPAC Name: [(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid
• SMILES: CC[C@H](C)[C@H](NC(=O)O)C(=O)NN(Cc1ccc(OC)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)CC)N1CCN(Cc2cccc(C)n2)C1=O
• InChI: InChI=1S/C41H57N7O7/c1-7-27(3)36(44-40(52)53)38(50)45-47(24-31-17-19-33(55-6)20-18-31)26-35(49)34(23-30-14-10-9-11-15-30)43-39(51)37(28(4)8-2)48-22-21-46(41(48)54)25-32-16-12-13-29(5)42-32/h9-20,27-28,34-37,44,49H,7-8,21-26H2,1-6H3,(H,43,51)(H,45,50)(H,52,53)/t27-,28-,34-,35-,36-,37-/m0/s1
• InChIKey: IBTQLSJLGITDCT-ATFINPRVSA-N
• XLogP: 4.36
• TPSA: 176.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	759.95
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid?

The IUPAC name of [(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid (CID 68687654) is [(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid.

What is the SMILES notation for [(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid?

The canonical SMILES for [(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid is CC[C@H](C)[C@H](NC(=O)O)C(=O)NN(Cc1ccc(OC)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)CC)N1CCN(Cc2cccc(C)n2)C1=O.

What is the InChIKey of [(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid?

The InChIKey is IBTQLSJLGITDCT-ATFINPRVSA-N. The full InChI is InChI=1S/C41H57N7O7/c1-7-27(3)36(44-40(52)53)38(50)45-47(24-31-17-19-33(55-6)20-18-31)26-35(49)34(23-30-14-10-9-11-15-30)43-39(51)37(28(4)8-2)48-22-21-46(41(48)54)25-32-16-12-13-29(5)42-32/h9-20,27-28,34-37,44,49H,7-8,21-26H2,1-6H3,(H,43,51)(H,45,50)(H,52,53)/t27-,28-,34-,35-,36-,37-/m0/s1.

What are the key properties of [(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid?

[(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid has a molecular weight of 759.95 g/mol, XLogP of 4.36, 20 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-3-methyl-2-[3-[(6-methyl-2-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-4-phenylbutyl]-2-[(4-methoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 68687654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).