Tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium

C₅₈H₆₂N₈O₃RuS — CID 155923776

About Tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium

Tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium (PubChem CID 155923776) has the molecular formula C₅₈H₆₂N₈O₃RuS and a molecular weight of 1052.32 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium.

Molecular Properties

• Compound Name: Tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium
• PubChem CID: 155923776
• Molecular Formula: C₅₈H₆₂N₈O₃RuS
• Molecular Weight: 1052.32 g/mol
• Exact Mass: 1052.37
• IUPAC Name: tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium
• SMILES: CC(C)(C)OC(=O)N[C@H](CS[C@H](Cc1ccccc1)C(=O)NCCCc1cccnc1)Cc1ccccc1.Cc1cccc(-c2cccc(C)n2)n1.[Ru].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C31H39N3O3S.C15H11N3.C12H12N2.Ru/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36);1-11H;3-8H,1-2H3;/t27-,28+;;;/m0.../s1
• InChIKey: FVGJXMAFINABIT-VKKDUPNPSA-N
• XLogP: 11.57
• TPSA: 144.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1052.32
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium?

The IUPAC name of Tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium (CID 155923776) is tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium.

What is the SMILES notation for Tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium?

The canonical SMILES for Tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium is CC(C)(C)OC(=O)N[C@H](CS[C@H](Cc1ccccc1)C(=O)NCCCc1cccnc1)Cc1ccccc1.Cc1cccc(-c2cccc(C)n2)n1.[Ru].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.

What is the InChIKey of Tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium?

The InChIKey is FVGJXMAFINABIT-VKKDUPNPSA-N. The full InChI is InChI=1S/C31H39N3O3S.C15H11N3.C12H12N2.Ru/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36);1-11H;3-8H,1-2H3;/t27-,28+;;;/m0.../s1.

What are the key properties of Tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium?

Tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium has a molecular weight of 1052.32 g/mol, XLogP of 11.57, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-[(2S)-1-[(2R)-1-oxo-3-phenyl-1-(3-pyridin-3-ylpropylamino)propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate;2,6-dipyridin-2-ylpyridine;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;ruthenium is sourced from PubChem (CID 155923776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155923776 — identifiers, structure, computed properties (public domain)

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