(2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide

C72H89NO5Si3 — CID 177468480

About (2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide

(2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide (PubChem CID 177468480) has the molecular formula C72H89NO5Si3 and a molecular weight of 1132.76 g/mol. Its IUPAC name is (2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide.

Molecular Properties

• Compound Name: (2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide
• PubChem CID: 177468480
• Molecular Formula: C72H89NO5Si3
• Molecular Weight: 1132.76 g/mol
• Exact Mass: 1131.60
• IUPAC Name: (2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide
• SMILES: CC1=C\C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)/C=C/C(C)=C/[C@@H](NC(=O)[C@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)C(=O)/C(C)=C/C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)\C=C\1
• InChI: InChI=1S/C72H89NO5Si3/c1-54-45-49-59(77-80(71(9,10)11,63-37-25-17-26-38-63)64-39-27-18-28-40-64)51-47-55(2)53-67(73-69(75)58(5)76-79(70(6,7)8,61-33-21-15-22-34-61)62-35-23-16-24-36-62)57(4)68(74)56(3)48-52-60(50-46-54)78-81(72(12,13)14,65-41-29-19-30-42-65)66-43-31-20-32-44-66/h15-48,50-51,53,57-60,67H,49,52H2,1-14H3,(H,73,75)/b50-46+,51-47+,54-45+,55-53+,56-48+/t57-,58-,59-,60+,67+/m0/s1
• InChIKey: UYFTVUVCTLAERU-IHQIZJSRSA-N
• XLogP: 13.28
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1132.76
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide?

The IUPAC name of (2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide (CID 177468480) is (2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide.

What is the SMILES notation for (2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide?

The canonical SMILES for (2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide is CC1=C\C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)/C=C/C(C)=C/[C@@H](NC(=O)[C@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)C(=O)/C(C)=C/C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)\C=C\1.

What is the InChIKey of (2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide?

The InChIKey is UYFTVUVCTLAERU-IHQIZJSRSA-N. The full InChI is InChI=1S/C72H89NO5Si3/c1-54-45-49-59(77-80(71(9,10)11,63-37-25-17-26-38-63)64-39-27-18-28-40-64)51-47-55(2)53-67(73-69(75)58(5)76-79(70(6,7)8,61-33-21-15-22-34-61)62-35-23-16-24-36-62)57(4)68(74)56(3)48-52-60(50-46-54)78-81(72(12,13)14,65-41-29-19-30-42-65)66-43-31-20-32-44-66/h15-48,50-51,53,57-60,67H,49,52H2,1-14H3,(H,73,75)/b50-46+,51-47+,54-45+,55-53+,56-48+/t57-,58-,59-,60+,67+/m0/s1.

What are the key properties of (2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide?

(2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide has a molecular weight of 1132.76 g/mol, XLogP of 13.28, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(1R,2E,4E,6S,8E,10E,12S,14E,17S)-6,12-bis[[tert-butyl(diphenyl)silyl]oxy]-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-[tert-butyl(diphenyl)silyl]oxypropanamide is sourced from PubChem (CID 177468480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).