[[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate

C42H38N6O4Si — CID 135405337

About [[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate

[[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate (PubChem CID 135405337) has the molecular formula C42H38N6O4Si and a molecular weight of 718.89 g/mol. Its IUPAC name is [[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate.

Molecular Properties

• Compound Name: [[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate
• PubChem CID: 135405337
• Molecular Formula: C42H38N6O4Si
• Molecular Weight: 718.89 g/mol
• Exact Mass: 718.27
• IUPAC Name: [[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate
• SMILES: C[Si](C)(OC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1c[nH]c2ccccc12)OC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1c[nH]c2ccccc12
• InChI: InChI=1S/C42H38N6O4Si/c1-53(2,51-41(49)39(19-27-21-43-35-15-7-3-11-31(27)35)47-25-29-23-45-37-17-9-5-13-33(29)37)52-42(50)40(20-28-22-44-36-16-8-4-12-32(28)36)48-26-30-24-46-38-18-10-6-14-34(30)38/h3-18,21-26,39-40,43-46H,19-20H2,1-2H3/b47-25+,48-26+/t39-,40+
• InChIKey: BANSMFHMCOYHKY-ROGYHSKFSA-N
• XLogP: 8.16
• TPSA: 140.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.89
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate?

The IUPAC name of [[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate (CID 135405337) is [[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate.

What is the SMILES notation for [[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate?

The canonical SMILES for [[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate is C[Si](C)(OC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1c[nH]c2ccccc12)OC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1c[nH]c2ccccc12.

What is the InChIKey of [[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate?

The InChIKey is BANSMFHMCOYHKY-ROGYHSKFSA-N. The full InChI is InChI=1S/C42H38N6O4Si/c1-53(2,51-41(49)39(19-27-21-43-35-15-7-3-11-31(27)35)47-25-29-23-45-37-17-9-5-13-33(29)37)52-42(50)40(20-28-22-44-36-16-8-4-12-32(28)36)48-26-30-24-46-38-18-10-6-14-34(30)38/h3-18,21-26,39-40,43-46H,19-20H2,1-2H3/b47-25+,48-26+/t39-,40+.

What are the key properties of [[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate?

[[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate has a molecular weight of 718.89 g/mol, XLogP of 8.16, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate is sourced from PubChem (CID 135405337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).