tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate

C51H80N4O16 — CID 177038998

About tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate

tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate (PubChem CID 177038998) has the molecular formula C51H80N4O16 and a molecular weight of 1005.21 g/mol. Its IUPAC name is tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate.

Molecular Properties

• Compound Name: tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate
• PubChem CID: 177038998
• Molecular Formula: C51H80N4O16
• Molecular Weight: 1005.21 g/mol
• Exact Mass: 1004.56
• IUPAC Name: tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate
• SMILES: CC(C)(C)OC=O.CCCOCCOCCOCCNC(=O)CN(CC(=O)NCCOCCOCCOCCC(=O)OC(C)(C)C)C(=O)CCOCCNC(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C46H70N4O14.C5H10O2/c1-5-19-56-25-29-61-31-27-59-22-16-47-41(51)33-50(34-42(52)48-17-23-60-28-32-62-30-26-58-21-15-44(54)64-46(2,3)4)43(53)14-20-57-24-18-49-45(55)63-35-40-38-12-8-6-10-36(38)37-11-7-9-13-39(37)40;1-5(2,3)7-4-6/h6-13,40H,5,14-35H2,1-4H3,(H,47,51)(H,48,52)(H,49,55);4H,1-3H3
• InChIKey: UYLNCGMQGQREKB-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 234.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 36
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.21
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate?

The IUPAC name of tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate (CID 177038998) is tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate.

What is the SMILES notation for tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate?

The canonical SMILES for tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate is CC(C)(C)OC=O.CCCOCCOCCOCCNC(=O)CN(CC(=O)NCCOCCOCCOCCC(=O)OC(C)(C)C)C(=O)CCOCCNC(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate?

The InChIKey is UYLNCGMQGQREKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H70N4O14.C5H10O2/c1-5-19-56-25-29-61-31-27-59-22-16-47-41(51)33-50(34-42(52)48-17-23-60-28-32-62-30-26-58-21-15-44(54)64-46(2,3)4)43(53)14-20-57-24-18-49-45(55)63-35-40-38-12-8-6-10-36(38)37-11-7-9-13-39(37)40;1-5(2,3)7-4-6/h6-13,40H,5,14-35H2,1-4H3,(H,47,51)(H,48,52)(H,49,55);4H,1-3H3.

What are the key properties of tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate?

tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate has a molecular weight of 1005.21 g/mol, XLogP of 4.19, 36 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[2-[2-[2-[[2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl formate is sourced from PubChem (CID 177038998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).