[2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane

C34H53N3O13Sn — CID 175280330

About [2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane

[2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane (PubChem CID 175280330) has the molecular formula C34H53N3O13Sn and a molecular weight of 830.52 g/mol. Its IUPAC name is [2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane.

Molecular Properties

• Compound Name: [2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane
• PubChem CID: 175280330
• Molecular Formula: C34H53N3O13Sn
• Molecular Weight: 830.52 g/mol
• Exact Mass: 831.26
• IUPAC Name: [2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane
• SMILES: O=C([SnH])COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O
• InChI: InChI=1S/C34H52N3O13.Sn.H/c38-17-21-48-23-22-46-20-16-36-32(41)26-49-25-24-47-19-15-35-30(39)14-13-29(34(44)45)37-31(40)8-6-4-2-1-3-5-7-18-50-28-11-9-27(10-12-28)33(42)43;;/h9-12,29H,1-8,13-16,18-26H2,(H,35,39)(H,36,41)(H,37,40)(H,42,43)(H,44,45);;/t29-;;/m0../s1
• InChIKey: SUQHIYHQCUHOBZ-UJXPALLWSA-N
• XLogP: 0.96
• TPSA: 225.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 33
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.52
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane?

The IUPAC name of [2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane (CID 175280330) is [2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane.

What is the SMILES notation for [2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane?

The canonical SMILES for [2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane is O=C([SnH])COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCOc1ccc(C(=O)O)cc1)C(=O)O.

What is the InChIKey of [2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane?

The InChIKey is SUQHIYHQCUHOBZ-UJXPALLWSA-N. The full InChI is InChI=1S/C34H52N3O13.Sn.H/c38-17-21-48-23-22-46-20-16-36-32(41)26-49-25-24-47-19-15-35-30(39)14-13-29(34(44)45)37-31(40)8-6-4-2-1-3-5-7-18-50-28-11-9-27(10-12-28)33(42)43;;/h9-12,29H,1-8,13-16,18-26H2,(H,35,39)(H,36,41)(H,37,40)(H,42,43)(H,44,45);;/t29-;;/m0../s1.

What are the key properties of [2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane?

[2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane has a molecular weight of 830.52 g/mol, XLogP of 0.96, 33 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[2-[[2-[2-[2-[[(4S)-4-carboxy-4-[10-(4-carboxyphenoxy)decanoylamino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]-λ2-stannane is sourced from PubChem (CID 175280330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).